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

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NGL PV

### 4_1_May_SF_Bin55_scaffold_648_c1_1006-4512_1

### Created: March 29, 2023, 8:51 p.m. at 20:51

Order by:

Oligo-State
  Monomer
GMQE
  0.70
QMEANDisCo Global:
  0.71 ± 0.05

Ligands
  1 x MO
  1 x MOLYBDENUM ATOM

  MO.7: | 4 residues within 4Å: Chain B: H.281, D.283, G.587, K.932 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
  40.77%
Coverage

Biounit Oligo State | Hetero-trimer
QSQE | 0.00
Method | X-ray, 2.97 Å
Seq Similarity | 0.41
Coverage | 0.96
Range | 28-1160

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
  0.41
QMEANDisCo Global:
  0.51 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

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

Seq Identity
  24.12%
Coverage

Biounit Oligo State | Hetero-trimer
QSQE | 0.00
Method | X-ray, 2.30 Å
Seq Similarity | 0.32
Coverage | 0.78
Range | 54-1130

Ligand | Added to Model | Description
--- | --- | ---
6MO | ✕ - Clashing with protein. | 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
GMQE
  0.27
QMEANDisCo Global:
  0.47 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
1h0h.1.A FORMATE DEHYDROGENASE SUBUNIT ALPHA
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas

Seq Identity
  17.09%
Coverage

Biounit Oligo State | Hetero-dimer
QSQE | 0.00
Method | X-ray, 1.80 Å
Seq Similarity | 0.28
Coverage | 0.47
Range | 69-756

Ligand | Added to Model | Description
--- | --- | ---
2MD | ✕ - Binding site not conserved. | GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER
CA | ✕ - Binding site not conserved. | CALCIUM ION
EPE | ✕ - Not biologically relevant. | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC 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
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
UNX | ✕ - Not biologically relevant. | UNKNOWN ATOM OR ION
W | ✕ - Not in contact with model. | TUNGSTEN ION

Model-Template Alignment

Oligo-State
  Monomer
GMQE
  0.14
QMEANDisCo Global:
  0.44 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
3ir7.1.A Respiratory nitrate reductase 1 alpha chain
Crystal structure of NarGHI mutant NarG-R94S

Seq Identity
  30.59%
Coverage

Biounit Oligo State | Hetero-trimer
QSQE | 0.00
Method | X-ray, 2.50 Å
Seq Similarity | 0.35
Coverage | 0.29
Range | 54-432

Ligand | Added to Model | Description
--- | --- | ---
6MO | ✕ - Binding site not conserved. | 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
GMQE
  0.11
QMEANDisCo Global:
  0.38 ± 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
  26.79%
Coverage

Biounit Oligo State | Hetero-dimer
QSQE | 0.00
Method | X-ray, 1.90 Å
Seq Similarity | 0.33
Coverage | 0.24
Range | 76-415

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
GMQE
  0.08
QMEANDisCo Global:
  0.40 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
7l5i.1.A Trimethylamine-N-oxide reductase
Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0

Seq Identity
  24.11%
Coverage

Biounit Oligo State | Monomer
QSQE | 0.00
Method | X-ray, 1.73 Å
Seq Similarity | 0.34
Coverage | 0.19
Range | 128-389

Ligand | Added to Model | Description
--- | --- | ---
CL | ✕ - Not biologically relevant. | CHLORIDE ION
EPE | ✕ - Not biologically relevant. | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
EPE | ✕ - Not biologically relevant. | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
EPE | ✕ - Not biologically relevant. | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC 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
MO | ✕ - Binding site not conserved. | MOLYBDENUM ATOM
O | ✕ - Binding site not conserved. | OXYGEN ATOM

Model-Template Alignment

Oligo-State
  Monomer
GMQE
  0.07
QMEANDisCo Global:
  0.36 ± 0.05

Ligands

QMEANDisCo Local
QMEAN Z-Scores

Template
1eu1.1.A DIMETHYL SULFOXIDE REDUCTASE
THE CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES DIMETHYLSULFOXIDE REDUCTASE REVEALS TWO DISTINCT MOLYBDENUM COORDINATION ENVIRONMENTS.

Seq Identity
  33.04%
Coverage

Biounit Oligo State | Monomer
QSQE | 0.00
Method | X-ray, 1.30 Å
Seq Similarity | 0.36
Coverage | 0.19
Range | 133-401

Ligand | Added to Model | Description
--- | --- | ---
6MO | ✕ - Binding site not conserved. | MOLYBDENUM(VI) ION
CD | ✕ - Binding site not conserved. | CADMIUM ION
EPE | ✕ - Not biologically relevant. | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
GLC | ✕ - Not in contact with model. | alpha-D-glucopyranose
GLC | ✕ - Binding site not conserved. | alpha-D-glucopyranose
GLC | ✕ - Binding site not conserved. | alpha-D-glucopyranose
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
O | ✕ - Binding site not conserved. | OXYGEN ATOM
O | ✕ - Binding site not conserved. | OXYGEN ATOM
SO4 | ✕ - Not biologically relevant. | SULFATE ION

Model-Template Alignment

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