2frv

CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE

Method: X-RAY DIFFRACTION

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

PERIPLASMIC HYDROGENASE

OrganismNot specified

UniProt P12943

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12944) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PHNS_DESGI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–264; UniProt 25–288 Author chain C; PDBConstruct 1–264; UniProt 25–288 Author chain E; PDBConstruct 1–264; UniProt 25–288 Author chain G; PDBConstruct 1–264; UniProt 25–288 Author chain I; PDBConstruct 1–264; UniProt 25–288 Author chain S; PDBConstruct 1–264; UniProt 25–288

PERIPLASMIC HYDROGENASE

OrganismNot specified

UniProt P12944

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
5 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count
6 Protein heterocomplex Heteromer Protein 2 PERIPLASMIC HYDROGENASE × 1 (P12943) IRON/SULFUR CLUSTER × 2 FE3-S4 CLUSTER × 1 NICKEL (II) ION × 1 MAGNESIUM ION × 1 CARBONMONOXIDE-(DICYANO) IRON × 1 OXYGEN ATOM × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name PHNL_DESGI
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 2–536; UniProt 1–535 Author chain D; PDBConstruct 2–536; UniProt 1–535 Author chain F; PDBConstruct 2–536; UniProt 1–535 Author chain H; PDBConstruct 2–536; UniProt 1–535 Author chain J; PDBConstruct 2–536; UniProt 1–535 Author chain L; PDBConstruct 2–536; UniProt 1–535

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_id2frv
Deposition date deposition_date1997-06-10
Structure title titleCRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE
Keywords keywordsOXIDOREDUCTASE, NI-FE HYDROGENASE; 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.

2frv__assembly_1__model_1

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

Download this curve (.dat)

2frv__assembly_1__model_1 | I(q)

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

2frv__assembly_1__model_1 | 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)25.55 Å
Rg (electron density)24.63 Å
Total Rg25.42 Å
Atom count6149
Residues791
Excluded volume109680 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2frv__assembly_1__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 2frv__assembly_2__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 2frv__assembly_3__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 2frv__assembly_4__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
5 1 2frv__assembly_5__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download
6 1 2frv__assembly_6__model_1 dimeric (2) Success 4.1.3-1-20251215 (887e7ef) View Download

4. Crystallography and Experiment 4. Crystallography & Experiment

5. Entities and Polymers Entities & Polymers (9)

6. Fold Classification (SCOP + CATH) 30 domains

SCOP 2.08 (12 domains)

Domain ID domain_idd2frva_
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_idd2frvb_
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_idd2frvc_
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_idd2frvd_
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_idd2frve_
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_idd2frvf_
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_idd2frvg_
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_idd2frvh_
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_idd2frvi_
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_idd2frvj_
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_idd2frvl_
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_idd2frvs_
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

CATH v4.4 (18 domains)

Domain ID domain_id2frvA01
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_id2frvA02
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_id2frvB00
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_id2frvC01
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_id2frvC02
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_id2frvD00
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_id2frvE01
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_id2frvE02
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_id2frvF00
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_id2frvG01
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_id2frvG02
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_id2frvH00
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_id2frvI01
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_id2frvI02
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_id2frvJ00
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_id2frvL00
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_id2frvS01
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_id2frvS02
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

7. Citations (3)