Export Alignment
Secondary Structure
None DSSP PSIPRED SSpro
Colour Scheme
Fade Mismatches Enhance Mismatches
Confidencegradient Confidenceclass Indels Chain Unique Chain Rainbow 2° Structure Clustal Hydrophobic Size Charged Polar Proline Ser/Thr Cysteine Aliphatic Aromatic No Colour
Use QMEANBrane values

Background |  |  |

3D Viewer
NGL PV

### Untitled Project

### Created: March 29, 2023, 4:10 a.m. at 04:10

Order by:

Oligo-State
  Monomer
GMQE
  0.79
QMEANDisCo Global:
  0.80 ± 0.05

Ligands
  1 x MO
  1 x MOLYBDENUM ATOM

  MO.7: | 4 residues within 4Å: Chain B: H.274, D.276, G.565, K.913 Ligand excluded by PLIP

QMEANDisCo Local
QMEAN Z-Scores

Template
7b04.1.B Nitrite oxidoreductase subunit A
Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia stuttgartiensis.

Seq Identity
  57.58%
Coverage

Biounit Oligo State | Hetero-trimer
QSQE | 0.00
Method | X-ray, 2.97 Å
Seq Similarity | 0.48
Coverage | 1.00
Range | 28-1144

Ligand | Added to Model | Description
--- | --- | ---
MO | ✓ | MOLYBDENUM ATOM
CA | ✕ - Binding site not conserved. | CALCIUM ION
CA | ✕ - Binding site not conserved. | CALCIUM ION
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
HEM | ✕ - Binding site not conserved. | PROTOPORPHYRIN IX CONTAINING FE
MD1 | ✕ - Binding site not conserved. | PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1 | ✕ - Binding site not conserved. | PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER

Model-Template Alignment

Oligo-State
  Monomer
GMQE
  0.40
QMEANDisCo Global:
  0.49 ± 0.05

Ligands
  1 x 6MO
  1 x MOLYBDENUM(VI) ION

  6MO.3: | 6 residues within 4Å: Chain A: N.70, E.212, M.213, H.274, D.276, G.565 No protein-ligand interaction detected (PLIP)

QMEANDisCo Local
QMEAN Z-Scores

Template
3ir5.1.A Respiratory nitrate reductase 1 alpha chain
Crystal structure of NarGHI mutant NarG-H49C

Seq Identity
  20.97%
Coverage

Biounit Oligo State | Hetero-trimer
QSQE | 0.00
Method | X-ray, 2.30 Å
Seq Similarity | 0.31
Coverage | 0.81
Range | 2-1111

Ligand | Added to Model | Description
--- | --- | ---
6MO | ✓ | MOLYBDENUM(VI) ION
AGA | ✕ - Binding site not conserved. | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
HEM | ✕ - Binding site not conserved. | PROTOPORPHYRIN IX CONTAINING FE
HEM | ✕ - Binding site not conserved. | PROTOPORPHYRIN IX CONTAINING FE
MD1 | ✕ - Binding site not conserved. | PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
MD1 | ✕ - Binding site not conserved. | PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER

Model-Template Alignment

Oligo-State
  Monomer
  (matching prediction)
GMQE
  0.37
QMEANDisCo Global:
  0.48 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
1r27.4.A Respiratory nitrate reductase 1 alpha chain
Crystal Structure of NarGH complex

Seq Identity
  20.78%
Coverage

Biounit Oligo State | Hetero-octamer
QSQE | 0.25
Method | X-ray, 2.00 Å
Seq Similarity | 0.31
Coverage | 0.81
Range | 47-1111

Ligand | Added to Model | Description
--- | --- | ---
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MO | ✕ - Not in contact with model. | MOLYBDENUM ATOM
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER

Model-Template Alignment

Oligo-State
  Monomer
GMQE
  0.32
QMEANDisCo Global:
  0.48 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
6sdv.1.A Formate dehydrogenase, alpha subunit, selenocysteine-containing,Formate dehydrogenase, alpha subunit, selenocysteine-containing,W-formate dehydrogenase - alpha subunit
W-formate dehydrogenase from Desulfovibrio vulgaris - Formate reduced form

Seq Identity
  20.13%
Coverage

Biounit Oligo State | Hetero-dimer
QSQE | 0.00
Method | X-ray, 1.90 Å
Seq Similarity | 0.30
Coverage | 0.53
Range | 42-747

Ligand | Added to Model | Description
--- | --- | ---
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
GOL | ✕ - Not biologically relevant. | GLYCEROL
H2S | ✕ - Binding site not conserved. | HYDROSULFURIC ACID
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
NO3 | ✕ - Not biologically relevant. | NITRATE ION
NO3 | ✕ - Not biologically relevant. | NITRATE ION
PEG | ✕ - Not biologically relevant. | DI(HYDROXYETHYL)ETHER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
W | ✕ - Not in contact with model. | TUNGSTEN ION

Model-Template Alignment

Oligo-State
  Monomer
  (matching prediction)
GMQE
  0.21
QMEANDisCo Global:
  0.44 ± 0.05

Ligands
  1 x MO
  1 x MOLYBDENUM ATOM

  MO.1: | 4 residues within 4Å: Chain A: N.70, H.274, D.276, G.565 Ligand excluded by PLIP

QMEANDisCo Local
QMEAN Z-Scores

Template
1r27.4.A Respiratory nitrate reductase 1 alpha chain
Crystal Structure of NarGH complex

Seq Identity
  27.20%
Coverage

Biounit Oligo State | Hetero-octamer
QSQE | 0.07
Method | X-ray, 2.00 Å
Seq Similarity | 0.34
Coverage | 0.47
Range | 47-639

Ligand | Added to Model | Description
--- | --- | ---
MO | ✓ | MOLYBDENUM ATOM
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
F3S | ✕ - Binding site not conserved. | FE3-S4 CLUSTER
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGD | ✕ - Binding site not conserved. | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER
SF4 | ✕ - Binding site not conserved. | IRON/SULFUR CLUSTER

Model-Template Alignment

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