8rtm

Af Aio C65F-C80G bound to Sb oxyanion

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 8	Arsenite oxidase subunit AioB × 4 （Q7SIF3） MOLYBDENUM ATOM × 1 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 8 FE3-S4 CLUSTER × 4 1,2-ETHANEDIOL × 16 DI(HYDROXYETHYL)ETHER × 28 TRIHYDROXYANTIMONITE(III) × 4 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 TRIETHYLENE GLYCOL × 5 OXYGEN ATOM × 4 SODIUM ION × 4 FE2/S2 (INORGANIC) CLUSTER × 4 GLYCEROL × 3 MOLYBDENUM(IV) ION × 3 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 PENTAETHYLENE GLYCOL × 2 2-(2-METHOXYETHOXY)ETHANOL × 1 water × 8	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 2–824； UniProt 4–826 Author chain C； PDBConstruct 2–824； UniProt 4–826 Author chain E； PDBConstruct 2–824； UniProt 4–826 Author chain G； PDBConstruct 2–824； 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 8	Arsenite oxidase subunit AioA × 4 （Q7SIF4） MOLYBDENUM ATOM × 1 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE × 8 FE3-S4 CLUSTER × 4 1,2-ETHANEDIOL × 16 DI(HYDROXYETHYL)ETHER × 28 TRIHYDROXYANTIMONITE(III) × 4 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 TRIETHYLENE GLYCOL × 5 OXYGEN ATOM × 4 SODIUM ION × 4 FE2/S2 (INORGANIC) CLUSTER × 4 GLYCEROL × 3 MOLYBDENUM(IV) ION × 3 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 PENTAETHYLENE GLYCOL × 2 2-(2-METHOXYETHOXY)ETHANOL × 1 water × 8	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 1–135； UniProt 41–175 Author chain D； PDBConstruct 1–135； UniProt 41–175 Author chain F； PDBConstruct 1–135； UniProt 41–175 Author chain H； PDBConstruct 1–135； UniProt 41–175

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	8rtm
Deposition date deposition_date	2024-01-26
Last revision last_revision	2025-08-06
Structure title title	Af Aio C65F-C80G bound to Sb oxyanion
Keywords keywords	arsenite oxidase, antimony, cysteine mutation, 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.

8rtm__assembly_1__model_1

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

Download this curve (.dat)

8rtm__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

8rtm__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	54.40 Å
Rg (electron density)	54.40 Å
Total Rg	54.45 Å
Atom count	30779
Residues	3836
Excluded volume	543160 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`8rtm__assembly_1__model_1`	octameric （8）	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 (19)

Entity 1 Entity 1 polymer

Description description	Arsenite oxidase subunit AioA
Molecular weight formula_weight	92202.9 kDa
EC 编号 ec_number	1.20.9.1
Mutation mutation	C65F-C80G
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	33119

APNDRITLPPANAQRTNMTCHFCIVGCGYHVYKWPELQEGGRAPEQNALGLDFRKQLPPLAVTLTPAMTNVVTEHDGRRYDIMVVPDKACVVNSGLSSTRGGKMASYMYTPTGDGKQRLKAPRLYAADQWVDTTWDHAMALYAGLIKKTLDKDGPQGVFFSCFDHGGAGGGFENTWGTGKLMFSAIQTPMVRIHNRPAYNSECHATREMGIGELNNAYEDAQLADVIWSIGNNPYESQTNYFLNHWLPNLQGATTSKKKERFPNENFPQARIIFVDPRETPSVAIARHVAGNDRVLHLAIEPGTDTALFNGLFTYVVEQGWIDKPFIEAHTKGFDDAVKTNRLSLDECSNITGVPVDMLKRAAEWSYKPKASGQAPRTMHAYEKGIIWGNDNYVIQSALLDLVIATHNVGRRGTGCVRMGGHQEGYTRPPYPGDKKIYIDQELIKGKGRIMTWWGCNNFQTSNNAQALREAILQRSAIVKQAMQKARGATTEEMVDVIYEATQNGGLFVTSINLYPTKLAEAAHLMLPAAHPGEMNLTSMNGERRIRLSEKFMDPPGTAMADCLIAARIANALRDMYQKDGKAEMAAQFEGFDWKTEEDAFNDGFRRAGQPGAPAIDSQGGSTGHLVTYDRLRKSGNNGVQLPVVSWDESKGLVGTEMLYTEGKFDTDDGKAHFKPAPWNGLPATVQQQKDKYRFWLNNGRNNEVWQTAYHDQYNSLMQERYPMAYIEMNPDDCKQLDVTGGDIVEVYNDFGSTFAMVYPVAEIKRGQTFMLFGYVNGIQGDVTTDWTDRNIIPYYKGTWGDIRKVGSMEEFKRTVSFKSRRFA

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	14316.1 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

AGRTTLQYPATQVSVAKNLKANEPVSFTYPDTSSPCVAVKLGSPVPGGVGPNNDIVAYSVLCTHMGFPTSYDKSSKTFKCPGHFTEFDAEKAGQMICGQATENLPRVLLRYDEASDALTAVGVDGLIYGRQANVI

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	MOLYBDENUM ATOM
Molecular weight formula_weight	95.9 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 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 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	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	16

Entity 7 Entity 7 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	28

Entity 8 Entity 8 non-polymer

Description description	TRIHYDROXYANTIMONITE(III)
Molecular weight formula_weight	172.8 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 9 Entity 9 non-polymer

Description description	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL
Molecular weight formula_weight	326.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 non-polymer

Description description	TRIETHYLENE GLYCOL
Molecular weight formula_weight	150.2 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 11 Entity 11 non-polymer

Description description	OXYGEN ATOM
Molecular weight formula_weight	16.0 kDa
Source method src_method	nat
Copy count entity_count	4

Entity 12 Entity 12 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 13 Entity 13 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 14 Entity 14 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 15 Entity 15 non-polymer

Description description	MOLYBDENUM(IV) ION
Molecular weight formula_weight	95.9 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 16 Entity 16 non-polymer

Description description	1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
Molecular weight formula_weight	162.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 17 Entity 17 non-polymer

Description description	PENTAETHYLENE GLYCOL
Molecular weight formula_weight	238.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 18 Entity 18 non-polymer

Description description	2-(2-METHOXYETHOXY)ETHANOL
Molecular weight formula_weight	120.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 19 Entity 19 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	2272

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Unit-cell length a length_a	90.254 Å
Unit-cell length b length_b	109.123 Å
Unit-cell length c length_c	116.997 Å
Unit-cell angle α angle_alpha	82.33 °
Unit-cell angle β angle_beta	89.68 °
Unit-cell angle γ angle_gamma	83.69 °
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	1.870 Å
Low-resolution limit resolution_low	48.940 Å
R factor r_factor	0.1808
R_work r_work	0.1791
R_free r_free	0.2139

Af Aio C65F-C80G bound to Sb oxyanion

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

8rtm__assembly_1__model_1

8rtm__assembly_1__model_1 | I(q)

8rtm__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 (19)

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 non-polymer

Entity 14 Entity 14 non-polymer

Entity 15 Entity 15 non-polymer

Entity 16 Entity 16 non-polymer

Entity 17 Entity 17 non-polymer

Entity 18 Entity 18 non-polymer

Entity 19 Entity 19 water

7. Citations (1)