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MolNFT v1 · #40550 · protein

Crystal structure of human prolidase

2IW2 · Xaa-pro dipeptidase: “Crystal structure of human prolidase”. X-ray diffraction, 1 ligand (NA), 7 pockets (best druggability 0.83). MolNFT v1 #40550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2IW2
Type
protein
Length
954 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xaa-pro dipeptidase
EC
3.4.13.9
UniProt
P12955
Ligands
NA
Pockets
7 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BXaa-pro dipeptidase (EC 3.4.13.9)protein47738% helix, 17% strandP12955

Ligands and binding sites

  • NA · Sodium ion · metal · 5 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18150.830.8666empty
29770.810.8289empty
39040.810.8399empty
4770.450.8123empty
5740.440.8126empty

Interfaces

1 interface between chains.

  • A–B · 3093 Ų buried · 45 hydrogen bonds · protein-protein

Compared structures

  • 2IW2 · Crystal structure of human Prolidase · the same entry in another collection · chain A against A, TM-score 1.00
  • P12955 · AlphaFold monomer V2.0 prediction for xaa-pro dipeptidase (P12955) · a predicted model of the same protein · chain A against A, TM-score 1.00

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