Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1G8J

CRYSTAL STRUCTURE ANALYSIS OF ARSENITE OXIDASE FROM ALCALIGENES FAECALIS

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0043546	molecular_function	molybdopterin cofactor binding
A	0045333	biological_process	cellular respiration
A	0046872	molecular_function	metal ion binding
A	0050611	molecular_function	arsenate reductase (azurin) activity
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051538	molecular_function	3 iron, 4 sulfur cluster binding
A	1990204	cellular_component	oxidoreductase complex
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0050611	molecular_function	arsenate reductase (azurin) activity
B	0051537	molecular_function	2 iron, 2 sulfur cluster binding
C	0016491	molecular_function	oxidoreductase activity
C	0043546	molecular_function	molybdopterin cofactor binding
C	0045333	biological_process	cellular respiration
C	0046872	molecular_function	metal ion binding
C	0050611	molecular_function	arsenate reductase (azurin) activity
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051538	molecular_function	3 iron, 4 sulfur cluster binding
C	1990204	cellular_component	oxidoreductase complex
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding
D	0050611	molecular_function	arsenate reductase (azurin) activity
D	0051537	molecular_function	2 iron, 2 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	36
Details	BINDING SITE FOR RESIDUE MGD A 2001

Chain	Residue
A	GLY170
A	THR462
A	ILE513
A	ASN514
A	LEU515
A	THR518
A	ALA530
A	ALA531
A	ASP563
A	ASN700
A	ARG702
A	HIS195
A	GLN708
A	THR709
A	TYR711
A	PHE774
A	GLN781
A	THR785
A	TYR797
A	LYS798
A	MGD2002
A	O2003
A	ASN196
A	4MO2004
A	HOH2008
A	HOH2022
A	HOH2061
A	HOH2105
A	HOH2116
A	HOH2222
A	LYS385
A	TRP389
A	HIS423
A	GLY456
A	CYS457
A	ASN458

site_id	AC2
Number of Residues	34
Details	BINDING SITE FOR RESIDUE MGD A 2002

Chain	Residue
A	ARG101
A	GLY232
A	ASN233
A	ASN234
A	GLU237
A	SER238
A	GLN239
A	VAL276
A	ASP277
A	PRO278
A	ARG279
A	THR281
A	GLY304
A	ASP306
A	GLU384
A	LYS385
A	GLY386
A	GLY422
A	TRP697
A	ASN699
A	GLY701
A	ARG702
A	ASN703
A	ASN704
A	VAL706
A	TRP707
A	GLN708
A	LYS798
A	MGD2001
A	O2003
A	4MO2004
A	HOH2006
A	HOH2015
A	HOH2070

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE O A 2003

Chain	Residue
A	ASN196
A	LYS385
A	MGD2001
A	MGD2002
A	4MO2004
A	HOH2192

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 4MO A 2004

Chain	Residue
A	MGD2001
A	MGD2002
A	O2003

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE F3S A 2005

Chain	Residue
A	CYS21
A	CYS24
A	GLY27
A	CYS28
A	TYR30
A	SER99
A	ARG101
A	ASN241

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES B 2006

Chain	Residue
B	CYS60
B	HIS62
B	MET63
B	CYS78
B	HIS81
B	THR83

site_id	AC7
Number of Residues	35
Details	BINDING SITE FOR RESIDUE MGD C 3001

Chain	Residue
C	GLY456
C	CYS457
C	ASN458
C	THR462
C	ILE513
C	ASN514
C	LEU515
C	ALA530
C	ALA531
C	ASP563
C	ASN700
C	ARG702
C	GLN708
C	THR709
C	TYR711
C	PHE774
C	GLN781
C	THR785
C	TYR797
C	LYS798
C	MGD3002
C	O3003
C	4MO3004
C	HOH3012
C	HOH3064
C	HOH3075
C	HOH3077
C	HOH3104
C	HOH3148
C	GLY170
C	HIS195
C	ASN196
C	LYS385
C	TRP389
C	HIS423

site_id	AC8
Number of Residues	38
Details	BINDING SITE FOR RESIDUE MGD C 3002

Chain	Residue
C	CYS24
C	ARG101
C	GLY232
C	ASN233
C	ASN234
C	GLU237
C	SER238
C	GLN239
C	VAL276
C	ASP277
C	PRO278
C	ARG279
C	THR281
C	GLY304
C	ASP306
C	GLU384
C	LYS385
C	GLY386
C	ILE387
C	GLY421
C	GLY422
C	HIS423
C	TRP697
C	ASN699
C	GLY701
C	ARG702
C	ASN703
C	ASN704
C	VAL706
C	TRP707
C	GLN708
C	LYS798
C	MGD3001
C	O3003
C	4MO3004
C	HOH3041
C	HOH3053
C	HOH3059

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE O C 3003

Chain	Residue
C	LYS385
C	GLY422
C	MGD3001
C	MGD3002
C	4MO3004
C	HOH3133

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 4MO C 3004

Chain	Residue
C	MGD3001
C	MGD3002
C	O3003

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE F3S C 3005

Chain	Residue
C	CYS21
C	CYS24
C	GLY27
C	CYS28
C	TYR30
C	SER99
C	ARG101
C	ASN241

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES D 3006

Chain	Residue
D	CYS60
D	HIS62
D	MET63
D	CYS78
D	HIS81
D	THR83

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
B	LEU102
B	ARG104
B	GLY120
B	GLY123
D	LEU102
D	ARG104
D	GLY120
D	GLY123

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
A	HIS195
A	GLU203
A	ARG419
A	HIS423
C	HIS195
C	GLU203
C	ARG419
C	HIS423

site_id	SWS_FT_FI3
Number of Residues	2
Details	SITE: Involved in charge transfer => ECO:0000305

Chain	Residue	Details
A	SER99
C	SER99

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1tmo

Chain	Residue	Details
A	ALA199

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1tmo

Chain	Residue	Details
C	ALA199

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1tmo

Chain	Residue	Details
A	ASN201

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1tmo

Chain	Residue	Details
C	ASN201

site_id	MCSA1
Number of Residues	2
Details	M-CSA 144

Chain	Residue	Details
B	ARG104	hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
B	GLY123	metal ligand, single electron acceptor, single electron donor, single electron relay
A	SER99	hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
A	SER238	hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

site_id	MCSA2
Number of Residues	2
Details	M-CSA 144

Chain	Residue	Details
D	ARG104	hydrogen bond donor, metal ligand, single electron acceptor, single electron donor, single electron relay
D	GLY123	metal ligand, single electron acceptor, single electron donor, single electron relay
C	SER99	hydrogen bond donor, single electron acceptor, single electron donor, single electron relay
C	SER238	hydrogen bond acceptor, single electron acceptor, single electron donor, single electron relay

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)