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MolNFT v1 · #159252 · protein

A high-resolution crystal structure of covalent complex of nocb thioesterase domain with fluorophosphonate nocardicin G analog

6OJD: “A high-resolution crystal structure of covalent complex of nocb thioesterase domain with fluorophosphonate…”. X-ray diffraction, 2 ligands (MUY, CA). MolNFT v1 #159252 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6OJD
Type
protein
Length
899 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q5J1Q6
Ligands
MUY, CA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein227—Q5J1Q6
B—protein226—Q5J1Q6
C—protein224—Q5J1Q6
D—protein222—Q5J1Q6

Ligands and binding sites

  • MUY · (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl) acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl) methyl]methylphosphinic acid · ligand · 4 copies · chains A, B, C, D
  • CA · Calcium ion · metal · 4 copies · chains A, B, C
  • GOL · Glycerol · additive · 12 copies · chains A, D, B, C

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

Compared structures

  • 6OJD · A high-resolution crystal structure of covalent complex of NocB thioesterase domain with… · the same entry in another collection · chain A against A, TM-score 1.00

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