8cff

Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite

Method: X-RAY DIFFRACTION

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Arsenite oxidase subunit AioA

Alcaligenes faecalis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioB × 1 （Q7SIF3） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 TRIETHYLENE GLYCOL × 1 GLYCEROL × 1 ARSENITE × 1 1,2-ETHANEDIOL × 7 DI(HYDROXYETHYL)ETHER × 2 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioB × 1 （Q7SIF3） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 GLYCEROL × 3 ARSENITE × 1 1,2-ETHANEDIOL × 7 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioB × 1 （Q7SIF3） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 GLYCEROL × 3 ARSENITE × 1 1,2-ETHANEDIOL × 5 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioB × 1 （Q7SIF3） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 TRIETHYLENE GLYCOL × 1 GLYCEROL × 2 ARSENITE × 1 1,2-ETHANEDIOL × 6 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	AIOA_ALCFA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–823； UniProt 4–826 Author chain C； PDBConstruct 1–823； UniProt 4–826 Author chain E； PDBConstruct 1–823； UniProt 4–826 Author chain G； PDBConstruct 1–823； UniProt 4–826

Arsenite oxidase subunit AioB

Alcaligenes faecalis

UniProt Q7SIF3

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioA × 1 （Q7SIF4） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 TRIETHYLENE GLYCOL × 1 GLYCEROL × 1 ARSENITE × 1 1,2-ETHANEDIOL × 7 DI(HYDROXYETHYL)ETHER × 2 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioA × 1 （Q7SIF4） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 GLYCEROL × 3 ARSENITE × 1 1,2-ETHANEDIOL × 7 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioA × 1 （Q7SIF4） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 GLYCEROL × 3 ARSENITE × 1 1,2-ETHANEDIOL × 5 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Arsenite oxidase subunit AioA × 1 （Q7SIF4） 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 2 MOLYBDENUM ATOM × 1 FE3-S4 CLUSTER × 1 TRIETHYLENE GLYCOL × 1 GLYCEROL × 2 ARSENITE × 1 1,2-ETHANEDIOL × 6 ISOPROPYL ALCOHOL × 1 FE2/S2 (INORGANIC) CLUSTER × 1 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	AIOB_ALCFA
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 2–134； UniProt 43–175 Author chain D； PDBConstruct 2–134； UniProt 43–175 Author chain F； PDBConstruct 2–134； UniProt 43–175 Author chain H； PDBConstruct 2–134； UniProt 43–175

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	8cff
Deposition date deposition_date	2023-02-03
Structure title title	Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite
Keywords keywords	arsenite oxidase, molybdenum cofactor, MGD, arsenic oxyanion, antimony oxyanion, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

8cff__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

8cff__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

8cff__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	28.67 Å
Rg (electron density)	28.08 Å
Total Rg	28.68 Å
Atom count	7646
Residues	957
Excluded volume	134820 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`8cff__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`8cff__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`8cff__assembly_3__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`8cff__assembly_4__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (13)

Entity 1 Entity 1 polymer

Description description	Arsenite oxidase subunit AioA
Molecular weight formula_weight	92129.8 kDa
EC 编号 ec_number	1.20.9.1
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,E,G
Atom count atom_count	34530

PNDRITLPPANAQRTNMTCHFCIVGCGYHVYKWPELQEGGRAPEQNALGLDFRKQLPPLAVTLTPAMTNVVTEHNGRRYNIMVVPDKACVVNSGLSSTRGGKMASYMYTPTGDGKQRLKAPRLYAADQWVDTTWDHAMALYAGLIKKTLDKDGPQGVFFSCFDHGGAGGGFENTWGTGKLMFSAIQTPMVRIHNRPAYNSECHATREMGIGELNNAYEDAQLADVIWSIGNNPYESQTNYFLNHWLPNLQGATTSKKKERFPNENFPQARIIFVDPRETPSVAIARHVAGNDRVLHLAIEPGTDTALFNGLFTYVVEQGWIDKPFIEAHTKGFDDAVKTNRLSLDECSNITGVPVDMLKRAAEWSYKPKASGQAPRTMHAYEKGIIWGNDNYVIQSALLDLVIATHNVGRRGTGCVRMGGHQEGYTRPPYPGDKKIYIDQELIKGKGRIMTWWGCNNFQTSNNAQALREAILQRSAIVKQAMQKARGATTEEMVDVIYEATQNGGLFVTSINLYPTKLAEAAHLMLPAAHPGEMNLTSMNGERRIRLSEKFMDPPGTAMADCLIAARIANALRDMYQKDGKAEMAAQFEGFDWKTEEDAFNDGFRRAGQPGAPAIDSQGGSTGHLVTYDRLRKSGNNGVQLPVVSWDESKGLVGTEMLYTEGKFDTDDGKAHFKPAPWNGLPATVQQQKDKYRFWLNNGRNNEVWQTAYHDQYNSLMQERYPMAYIEMNPDDCKQLDVTGGDIVEVYNDFGSTFAMVYPVAEIKRGQTFMLFGYVNGIQGDVTTDWTDRNIIPYYKGTWGDIRKVGSMEEFKRTVSFKSRRFA

Source Source

Source organism organism	Alcaligenes faecalis
NCBI taxonomy ID ncbi_taxonomy_id	511
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Arsenite oxidase subunit AioB
Molecular weight formula_weight	14303.2 kDa
EC 编号 ec_number	1.20.9.1
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D,F,H

LRTTLQYPATQVSVAKNLKANEPVSFTYPDTSSPCVAVKLGSPVPGGVGPNNDIVAYSVLCTHMGCPTSYDKSSKTFKCPCHFTEFDAEKAGQMICGQATENLPRVLLRYDEASDALTAVGVDGLIYGRQANVI

Source Source

Source organism organism	Alcaligenes faecalis
NCBI taxonomy ID ncbi_taxonomy_id	511
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
Molecular weight formula_weight	740.6 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 4 Entity 4 non-polymer

Description description	MOLYBDENUM ATOM
Molecular weight formula_weight	95.9 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	FE3-S4 CLUSTER
Molecular weight formula_weight	295.8 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 6 Entity 6 non-polymer

Description description	TRIETHYLENE GLYCOL
Molecular weight formula_weight	150.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	9

Entity 8 Entity 8 non-polymer

Description description	ARSENITE
Molecular weight formula_weight	122.9 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 9 Entity 9 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	25

Entity 10 Entity 10 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 11 Entity 11 non-polymer

Description description	ISOPROPYL ALCOHOL
Molecular weight formula_weight	60.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 12 Entity 12 non-polymer

Description description	FE2/S2 (INORGANIC) CLUSTER
Molecular weight formula_weight	175.8 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 13 Entity 13 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	3683

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Unit-cell length a length_a	90.306 Å
Unit-cell length b length_b	108.982 Å
Unit-cell length c length_c	116.892 Å
Unit-cell angle α angle_alpha	97.50 °
Unit-cell angle β angle_beta	90.21 °
Unit-cell angle γ angle_gamma	96.06 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Resolution resolution	1.570 Å
Low-resolution limit resolution_low	65.620 Å
R factor r_factor	0.1697
R_work r_work	0.1679
R_free r_free	0.2044

Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite

1. Protein Identity and Related Structures Protein Identity & Related Structures

Arsenite oxidase subunit AioA

State in the Current Structure

Other States of the Same Protein in the Database

Arsenite oxidase subunit AioB

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

8cff__assembly_1__model_1

8cff__assembly_1__model_1 | I(q)

8cff__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (13)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 non-polymer

Entity 12 Entity 12 non-polymer

Entity 13 Entity 13 water

7. Citations (1)

Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite

1. Protein Identity and Related Structures Protein Identity & Related Structures

Arsenite oxidase subunit AioA

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Arsenite oxidase subunit AioB

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

8cff__assembly_1__model_1

8cff__assembly_1__model_1 | I(q)

8cff__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (13)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 non-polymer

Entity 12 Entity 12 non-polymer

Entity 13 Entity 13 water

7. Citations (1)