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MolNFT v1 · #47989 · protein

Crystal structure of human CBR1 in complex with BIGF2.

2PFG · Carbonyl reductase [NADPH] 1: “Crystal structure of human CBR1 in complex with BIGF2.”. X-ray diffraction, 3 ligands (NAP, DDD, CL), 2 pockets (best druggability 0.72). MolNFT v1 #47989 on GenesisL1: 3D structure, binding sites and…

PDB
2PFG
Type
protein
Length
273 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbonyl reductase [NADPH] 1
EC
1.1.1.184, 1.1.1.189, 1.1.1.197
UniProt
P16152
Ligands
NAP, DDD, CL
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonyl reductase [NADPH] 1 (EC 1.1.1.184, 1.1.1.189, 1.1.1.197)protein27349% helix, 16% strandP16152

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • DDD · (5R,10S)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · 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
14810.720.8154CL, NAP, DDD
2670.310.7515empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 2PFG · Crystal structure of human CBR1 in complex with BiGF2. · the same entry in another collection · chain A against A, TM-score 1.00
  • P16152 · AlphaFold monomer V2.0 prediction for carbonyl reductase [NADPH] 1 (P16152) · a predicted model of the same protein · chain A against A, TM-score 1.00

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