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MolNFT v1 · #27459 · protein

Crystal structure of hypoxic response protein I (hrpi) with two coordinated zinc ions

1XKF · Hypothetical protein RV2626C: “Crystal structure of hypoxic response protein I (hrpi) with two coordinated zinc ions”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.65). MolNFT v1 #27459 on GenesisL1: 3D…

PDB
1XKF
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein RV2626C
UniProt
O06186
Ligands
ZN
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein RV2626Cprotein12042% helix, 28% strandO06186
BHypothetical protein RV2626Cprotein12341% helix, 28% strandO06186

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13870.650.7951empty
21050.420.7823empty

Interfaces

1 interface between chains.

  • A–B · 668 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1XKF · Crystal structure of Hypoxic Response Protein I (HRPI) with two coordinated zinc ions · the same entry in another collection · chain A against A, TM-score 1.00

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