MolNFT v1 · #175664 · protein

Crystal structure of cmnk in complex with NAD+

7CXU: “Crystal structure of cmnk in complex with NAD+”. X-ray diffraction, 1 ligand (NAD), 7 pockets (best druggability 0.83). MolNFT v1 #175664 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7CXU
Type: protein
Length: 653 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cmnk
UniProt: A6YEI2
Ligands: NAD
Pockets: 7 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cmnk	protein	326	35% helix, 27% strand	A6YEI2
B	Cmnk	protein	327	34% helix, 28% strand	A6YEI2

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · chains B

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

Pockets

7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1182	0.83	0.84	129	NAD
2	60	0.47	0.84	14	empty
3	65	0.35	0.77	19	empty
4	77	0.34	0.75	14	empty
5	68	0.31	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 834 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7CXU · Crystal structure of CmnK in complex with NAD+ · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A6YEI2
Elsewhere: RCSB PDB 7CXU · PDBe 7CXU · UniProt A6YEI2

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