Untitled Project

Order by:

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

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

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

Untitled Project

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

Click model image to view in 3D

Click model image to view in 3D

Untitled Project

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

Background

Resolution

Click model image to view in 3D

Click model image to view in 3D