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MolNFT v1 · #8485 · protein

Sulfate respiration in desulfovibrio vulgaris hildenborough: structure of the 16-heme cytochrome C hmca at 2.5 a resolution and a view of its role in transmembrane electron transfer

1H29 · High-molecular-weight cytochrome C: “Sulfate respiration in desulfovibrio vulgaris hildenborough: structure of the 16-heme cytochrome C hmca at…”. X-ray diffraction, 1 ligand (HEC), 20 pockets (best druggability 0.89). MolNFT v1…

PDB
1H29
Type
protein
Length
1,993 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
High-molecular-weight cytochrome C
UniProt
P24092
Ligands
HEC
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 4 distinct chains · 36% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHigh-molecular-weight cytochrome Cprotein50136% helix, 8% strandP24092
BHigh-molecular-weight cytochrome Cprotein49938% helix, 8% strandP24092
CHigh-molecular-weight cytochrome Cprotein50137% helix, 8% strandP24092
DHigh-molecular-weight cytochrome Cprotein49235% helix, 7% strandP24092

Ligands and binding sites

  • HEC · Heme C · ligand · 64 copies · chains A, C, B, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110100.890.90154HEC
27510.870.90122HEC
39770.860.87111HEC
43520.830.9361HEC
53860.810.9059HEC

Interfaces

2 interfaces between chains.

  • A–C · 796 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 778 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 128 cofactor (heme c attachment).

Compared structures

  • 1H29 · Sulfate respiration in Desulfovibrio vulgaris Hildenborough: Structure of the 16-heme… · the same entry in another collection · chain D against D, TM-score 1.00
  • P24092 · AlphaFold monomer V2.0 prediction for high-molecular-weight cytochrome C (P24092) · a predicted model of the same protein · chain D against A, TM-score 0.99

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