2ivf

Ethylbenzene dehydrogenase from Aromatoleum aromaticum

Method: X-RAY DIFFRACTION

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

ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	ETHYLBENZENE DEHYDROGENASE BETA-SUBUNIT × 1 （Q5P5I1） ETHYLBENZENE DEHYDROGENASE GAMMA-SUBUNIT × 1 （Q5P5I2） 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACETATE ION × 2 GLYCEROL × 8 IRON/SULFUR CLUSTER × 4 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 × 1 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 × 1 PHOSPHATE ION × 1 FE3-S4 CLUSTER × 1 PROTOPORPHYRIN IX CONTAINING FE × 1 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5P5I0_AZOSE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–976； UniProt 1–976

ETHYLBENZENE DEHYDROGENASE BETA-SUBUNIT

OrganismNot specified

UniProt Q5P5I1

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT × 1 （Q5P5I0） ETHYLBENZENE DEHYDROGENASE GAMMA-SUBUNIT × 1 （Q5P5I2） 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACETATE ION × 2 GLYCEROL × 8 IRON/SULFUR CLUSTER × 4 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 × 1 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 × 1 PHOSPHATE ION × 1 FE3-S4 CLUSTER × 1 PROTOPORPHYRIN IX CONTAINING FE × 1 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5P5I1_AZOSE
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–352； UniProt 1–352

ETHYLBENZENE DEHYDROGENASE GAMMA-SUBUNIT

OrganismNot specified

UniProt Q5P5I2

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT × 1 （Q5P5I0） ETHYLBENZENE DEHYDROGENASE BETA-SUBUNIT × 1 （Q5P5I1） 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 ACETATE ION × 2 GLYCEROL × 8 IRON/SULFUR CLUSTER × 4 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 × 1 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 × 1 PHOSPHATE ION × 1 FE3-S4 CLUSTER × 1 PROTOPORPHYRIN IX CONTAINING FE × 1 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5P5I2_AZOSE
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–214； UniProt 1–214

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	2ivf
Deposition date deposition_date	2006-06-13
Structure title title	Ethylbenzene dehydrogenase from Aromatoleum aromaticum
Keywords keywords	ANAEROBIC HYDROCARBON DEGRADATION, MOCO, FE/S CLUSTER, MO- BISMGD ENZYME, DMSO REDUCTASE FAMILY, 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.

2ivf__assembly_1__model_1

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

Download this curve (.dat)

2ivf__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2ivf__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	35.74 Å
Rg (electron density)	35.96 Å
Total Rg	36.17 Å
Atom count	11821
Residues	1463
Excluded volume	209720 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2ivf__assembly_1__model_1`	trimeric （3）	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 (14)

Entity 1 Entity 1 polymer

Description description	ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT
Molecular weight formula_weight	110402.6 kDa
EC 编号 ec_number	1.17.99.2
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	12639

MTRDEMISVEPEAAELQDQHRRDFLKRSGAAVLSLSLSSLATGVVPGFLKDAQAGTKAPGYASWEDIYRKEWKWDKVNWGSHLNICWPQGSCKFYVYVRNGIVWREEQAAQTPACNVDYVDYNPLGCQKGSAFNNNLYGDERVKYPLKRVGKRGEGKWKRVSWDEAAGDIADSIIDSFEAQGSDGFILDAPHVHAGSIAWGAGFRMTYLMDGVSPDINVDIGDTYMGAFHTFGKMHMGYSADNLLDAELIFMTCSNWSYTYPSSYHFLSEARYKGAEVVVIAPDFNPTTPAADLHVPVRVGSDAAFWLGLSQVMIDEKLFDRQFVCEQTDLPLLVRMDTGKFLSAEDVDGGEAKQFYFFDEKAGSVRKASRGTLKLDFMPALEGTFSARLKNGKTIQVRTVFEGLREHLKDYTPEKASAKCGVPVSLIRELGRKVAKKRTCSYIGFSSAKSYHGDLMERSLFLAMALSGNWGKPGTGAFAWAYSDDNMVYLGVMSKPTAQGGMDELHQMAEGFNKRTLEADPTSTDEMGNIEFMKVVTSAVGLVPPAMWLYYHVGYDQLWNNKAWTDPALKKSFGAYLDEAKEKGWWTNDHIRPAPDKTPQVYMLLSQNPMRRKRSGAKMFPDVLFPKLKMIFALETRMSSSAMYADIVLPCAWYYEKHEMTTPCSGNPFFTFVDRSVAPPGECREEWDAIALILKKVGERAAARGLTEFNDHNGRKRRYDELYKKFTMDGHLLTNEDCLKEMVDINRAVGVFAKDYTYEKFKKEGQTRFLSMGTGVSRYAHANEVDVTKPIYPMRWHFDDKKVFPTHTRRAQFYLDHDWYLEAGESLPTHKDTPMVGGDHPFKITGGHPRVSIHSTHLTNSHLSRLHRGQPVVHMNSKDAAELGIKDGDMAKLFNDFADCEIMVRTAPNVQPKQCIVYFWDAHQYKGWKPYDILLIGMPKPLHLAGGYEQFRYYFMNGSPAPVTDRGVRVSIKKA

Entity 2 Entity 2 polymer

Description description	ETHYLBENZENE DEHYDROGENASE BETA-SUBUNIT
Molecular weight formula_weight	39737.2 kDa
EC 编号 ec_number	1.17.99.2
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MTYVQDGNKSELRKAKRQLVTVIDLNKCLGCQTCTVACKNIWTKRPGTEHMRWNNVTTYPGKGYPRDYERKGGGFLRGEPQPGVLPTLIDSGDDFQFNHKEVFYEGKGQTVHFHPTSKSTGKDPAWGYNWDEDQGGGKWPNPFFFYLARMCNHCTNPACLAACPTGAIYKREDNGIVLVDQERCKGHRHCVEACPYKAIYFNPVSQTSEKCILCYPRIEKGIANACNRQCPGRVRAFGYLDDTTSHVHKLVKKWKVALPLHAEYGTGPNIYYVPPMGARGFGEDGEITDKTRIPLDVLEGLFGPEVKRVLAVLHTERENMRAGRGSELMDLLISKKWSDRFGGFTNDPLTQS

Entity 3 Entity 3 polymer

Description description	ETHYLBENZENE DEHYDROGENASE GAMMA-SUBUNIT
Molecular weight formula_weight	23093.6 kDa
EC 编号 ec_number	1.17.99.2
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

MKAKRVPGGKELLLDLDAPIWAGAESTTFEMFPTPLVMVKEVSPFLALSEGHGVIKRLDVAALHNGSMIALRLKWASEKHDKIVDLNSFVDGVGAMFPVARGAQAVTMGATGRPVNAWYWKANANEPMEIVAEGFSAVRRMKDKAGSDLKAVAQHRNGEWNVILCRSMATGDGLAKLQAGGSSKIAFAVWSGGNAERSGRKSYSGEFVDFEILK

Entity 4 Entity 4 non-polymer

Description description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Molecular weight formula_weight	195.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 7 Entity 7 non-polymer

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 8 Entity 8 non-polymer

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

Entity 9 Entity 9 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	1

Entity 10 Entity 10 non-polymer

Description description	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
Molecular weight formula_weight	740.6 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 11 Entity 11 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 12 Entity 12 non-polymer

Description description	FE3-S4 CLUSTER
Molecular weight formula_weight	295.8 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 13 Entity 13 non-polymer

Description description	PROTOPORPHYRIN IX CONTAINING FE
Molecular weight formula_weight	616.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 14 Entity 14 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	818

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6. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	2ivfC00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	1190 —

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Unit-cell length a length_a	112.532 Å
Unit-cell length b length_b	67.324 Å
Unit-cell length c length_c	114.765 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	111.30 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.880 Å
Low-resolution limit resolution_low	46.420 Å
R factor r_factor	0.1500
R_work r_work	0.1480
R_free r_free	0.1830

Ethylbenzene dehydrogenase from Aromatoleum aromaticum

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

ETHYLBENZENE DEHYDROGENASE ALPHA-SUBUNIT

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

ETHYLBENZENE DEHYDROGENASE BETA-SUBUNIT

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

ETHYLBENZENE DEHYDROGENASE GAMMA-SUBUNIT

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

2ivf__assembly_1__model_1

2ivf__assembly_1__model_1 | I(q)

2ivf__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 (14)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer 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 water

6. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

7. Citations (1)