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Crystal structure of nmra-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid

Analyse Crystal structure of nmra-like family domain containing protein 1 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2WMD
Type
protein
Length
295 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nmra-like family domain containing protein 1
UniProt
Q9HBL8
Ligands
ZZ0, NAP
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANmra-like family domain containing protein 1protein29546% helix, 16% strandQ9HBL8

Ligands and binding sites

  • ZZ0 · 2-(4-chloro-phenylamino)-nicotinic acid · ligand · chains A
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A

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
14600.710.8145ZZ0, NAP

Compared structures

  • 2WMD · Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HBL8 · AlphaFold monomer V2.0 prediction for nmra-like family domain- containing protein 1… · a predicted model of the same protein · chain A against A, TM-score 0.99

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