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MolNFT v1 · #163776 · protein

Mycobacterium tuberculosis alanine racemase inhibited by dcs

6SCZ: “Mycobacterium tuberculosis alanine racemase inhibited by dcs”. X-ray diffraction, 3 ligands (P4K, CA, CL). MolNFT v1 #163776 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SCZ
Type
protein
Length
747 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P9WQA9
Ligands
P4K, CA, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein375—P9WQA9
B—protein372—P9WQA9

Ligands and binding sites

  • P4K · polyethylene glycol · ligand · 5 copies · chains A, B
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 22 copies · chains A, B
  • GOL · Glycerol · additive · 7 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Compared structures

  • 6SCZ · Mycobacterium tuberculosis alanine racemase inhibited by DCS · the same entry in another collection · chain B against B, TM-score 1.00
  • P9WQA9 · AlphaFold monomer V2.0 prediction for alanine racemase (P9WQA9) · a predicted model of the same protein · chain B against A, TM-score 0.99

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