4_1_May_SF_Bin52_scaffold_5716_c1_3776-6595_1

Order by:

Oligo-State: Monomer
GMQE: 0.68
QMEANDisCo Global:: 0.69 ± 0.05

Ligands

1 x MO

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: 39.66%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.97 Å
Seq Similarity	0.40
Coverage	0.95
Range	29-938

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: 0.67
QMEANDisCo Global:: 0.68 ± 0.05

Ligands

1 x MO

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: 41.29%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.97 Å
Seq Similarity	0.41
Coverage	0.91
Range	47-938

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:: 0.54 ± 0.05

Ligands

1 x 6MO

QMEANDisCo Local

QMEAN Z-Scores

Template

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

Seq Identity: 25.36%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.30 Å
Seq Similarity	0.33
Coverage	0.67
Range	54-767

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
GMQE: 0.37
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: 18.11%
Coverage

Biounit Oligo State	Hetero-dimer
QSQE	0.00
Method	X-ray, 1.90 Å
Seq Similarity	0.29
Coverage	0.64
Range	54-767

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: 0.26
QMEANDisCo Global:: 0.45 ± 0.05

Ligands

1 x 6MO

QMEANDisCo Local

QMEAN Z-Scores

Template

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

Seq Identity: 31.57%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.50 Å
Seq Similarity	0.36
Coverage	0.54
Range	54-630

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

4_1_May_SF_Bin52_scaffold_5716_c1_3776-6595_1

Created: March 29, 2023, 8:37 p.m. at 20:37

Click model image to view in 3D

Click model image to view in 3D

4_1_May_SF_Bin52_scaffold_5716_c1_3776-6595_1

Created: March 29, 2023, 8:37 p.m. at 20:37

Background

Resolution

Click model image to view in 3D

Click model image to view in 3D