4_1_Oct_SF_Bin32_scaffold_7496_c1_2-2440_1

Order by:

Oligo-State: Monomer
GMQE: 0.70
QMEANDisCo Global:: 0.67 ± 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: 40.77%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.97 Å
Seq Similarity	0.41
Coverage	0.95
Range	1-811

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: 0.37
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: 23.32%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.30 Å
Seq Similarity	0.32
Coverage	0.62
Range	1-588

Ligand	Added to Model	Description
6MO	✕ - Not in contact with model.	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: 0.20
QMEANDisCo Global:: 0.46 ± 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: 31.10%
Coverage

Biounit Oligo State	Hetero-trimer
QSQE	0.00
Method	X-ray, 2.50 Å
Seq Similarity	0.36
Coverage	0.42
Range	90-451

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: 0.04
QMEANDisCo Global:: 0.42 ± 0.08

Ligands

QMEANDisCo Local

QMEAN Z-Scores

Template

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

Seq Identity: 17.24%
Coverage

Biounit Oligo State	Hetero-octamer
QSQE	0.00
Method	X-ray, 2.00 Å
Seq Similarity	0.27
Coverage	0.14
Range	654-769

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	✕ - Binding site not conserved.	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

4_1_Oct_SF_Bin32_scaffold_7496_c1_2-2440_1

Created: March 29, 2023, 8:38 p.m. at 20:38

Click model image to view in 3D

Click model image to view in 3D

4_1_Oct_SF_Bin32_scaffold_7496_c1_2-2440_1

Created: March 29, 2023, 8:38 p.m. at 20:38

Background

Resolution

Click model image to view in 3D

Click model image to view in 3D