1yrq

Structure of the ready oxidized form of [NiFe]-hydrogenase

Method: X-RAY DIFFRACTION

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

Periplasmic [NiFe] hydrogenase small subunit

OrganismNot specified

UniProt P18187

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase large subunit × 1 (P18188) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PHNS_DESFR
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–264; UniProt 51–314 Author chain B; PDBConstruct 1–264; UniProt 51–314 Author chain C; PDBConstruct 1–264; UniProt 51–314 Author chain D; PDBConstruct 1–264; UniProt 51–314 Author chain F; PDBConstruct 1–264; UniProt 51–314 Author chain G; PDBConstruct 1–264; UniProt 51–314

Periplasmic [NiFe] hydrogenase large subunit

OrganismNot specified

UniProt P18188

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 Periplasmic [NiFe] hydrogenase small subunit × 1 (P18187) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PHNL_DESFR
Isoform
PDB entities 2
Chains and sequence ranges Author chain H; PDBConstruct 1–549; UniProt 1–549 Author chain I; PDBConstruct 1–549; UniProt 1–549 Author chain J; PDBConstruct 1–549; UniProt 1–549 Author chain K; PDBConstruct 1–549; UniProt 1–549 Author chain M; PDBConstruct 1–549; UniProt 1–549 Author chain N; PDBConstruct 1–549; UniProt 1–549

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.

2. Structure Basics 2. Structure Basics

Entry ID entry_id1yrq
Deposition date deposition_date2005-02-04
Structure title titleStructure of the ready oxidized form of [NiFe]-hydrogenase
Keywords keywordsNiB state, hydroxide bridge, Oxidoreductase; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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.

1yrq__assembly_4__model_2

Assembly 4 · Model 2 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

1yrq__assembly_4__model_2 | I(q)

10-2 10-1 106 107 108 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

1yrq__assembly_4__model_2 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg(Guinier)25.51 Å
Rg (electron density)24.61 Å
Total Rg25.44 Å
Atom count6165
Residues806
Excluded volume110090 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 1yrq__assembly_1__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
1 2 1yrq__assembly_1__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 1yrq__assembly_2__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
2 2 1yrq__assembly_2__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 1yrq__assembly_3__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
3 2 1yrq__assembly_3__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 1yrq__assembly_4__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
4 2 1yrq__assembly_4__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
5 1 1yrq__assembly_5__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
5 2 1yrq__assembly_5__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
6 1 1yrq__assembly_6__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
6 2 1yrq__assembly_6__model_2 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download

4. Crystallography and Experiment 4. Crystallography & Experiment

5. Entities and Polymers Entities & Polymers (8)

6. Fold Classification (SCOP + CATH) 30 domains

SCOP 2.08 (12 domains)

Domain ID domain_idd1yrqa_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqb_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqc_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqd_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqf_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqg_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.19 — HydA/Nqo6-like
Superfamily Superfamily superfamilye.19.1 — HydA/Nqo6-like
Family Family familye.19.1.1 — Nickel-iron hydrogenase, small subunit
Domain ID domain_idd1yrqh_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit
Domain ID domain_idd1yrqi_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit
Domain ID domain_idd1yrqj_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit
Domain ID domain_idd1yrqk_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit
Domain ID domain_idd1yrqm_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit
Domain ID domain_idd1yrqn_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.18 — HydB/Nqo4-like
Superfamily Superfamily superfamilye.18.1 — HydB/Nqo4-like
Family Family familye.18.1.1 — Nickel-iron hydrogenase, large subunit

CATH v4.4 (18 domains)

Domain ID domain_id1yrqA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqA02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqB02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqC01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqC02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqD01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqD02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqF01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqF02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqG01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily700 — NADH:ubiquinone oxidoreductase-like, 20kDa subunit
Domain ID domain_id1yrqG02
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology480 — Cytochrome-c3 Hydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Cytochrome-c3 hydrogenase, C-terminal domain
Domain ID domain_id1yrqH00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B
Domain ID domain_id1yrqI00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B
Domain ID domain_id1yrqJ00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B
Domain ID domain_id1yrqK00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B
Domain ID domain_id1yrqM00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B
Domain ID domain_id1yrqN00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology645 — Cytochrome-c3 Hydrogenase; chain B
Homologous superfamily homologous superfamily10 — Cytochrome-c3 Hydrogenase, chain B

7. Citations (3)