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MolNFT v1 · #163028 · protein

X-ray crystal structure of protiated (H) small monoclinic unit cell ca IX sv.

6RQN · Carbonic anhydrase 9: “X-ray crystal structure of protiated (H) small monoclinic unit cell ca IX sv.”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.55). MolNFT v1 #163028 on GenesisL1: 3D structure, binding sites…

PDB
6RQN
Type
protein
Length
256 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbonic anhydrase 9
EC
4.2.1.1
UniProt
Q16790
Ligands
ZN
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 9 (EC 4.2.1.1)protein25615% helix, 34% strandQ16790

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • ACT · Acetate ion · additive · chains A

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
11910.550.7923ACT
2610.380.7916empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6RQN · X-ray crystal structure of protiated (H) small monoclinic unit cell CA IX SV. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q16790 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 9 (Q16790) · a predicted model of the same protein · chain A against A, TM-score 1.00

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