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MolNFT v1 · #168886 · protein

Human calcium and integrin binding protein 3 E150Q K151H

6WU7 · Calcium and integrin-binding family member 3: “Human calcium and integrin binding protein 3 E150Q K151H”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.80). MolNFT v1 #168886 on GenesisL1: 3D structure, binding…

PDB
6WU7
Type
protein
Length
364 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium and integrin-binding family member 3
UniProt
Q96Q77
Ligands
CA
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalcium and integrin-binding family member 3protein18154% helix, 2% strandQ96Q77
BCalcium and integrin-binding family member 3protein18355% helix, 2% strandQ96Q77

Ligands and binding sites

  • CA · Calcium ion · metal · 11 copies · chains A, B
  • ACT · Acetate ion · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18700.800.8282CA

Interfaces

1 interface between chains.

  • A–B · 1944 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 6WU7 · Human Calcium and Integrin Binding Protein 3 E150Q K151H · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96Q77 · AlphaFold monomer V2.0 prediction for calcium and integrin-binding family member 3… · a predicted model of the same protein · chain A against A, TM-score 0.92

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