MolNFT v1 · #12099 · protein

Crystal structure of nmra, a negative transcriptional regulator (monoclinic form)

1K6J: “Crystal structure of nmra, a negative transcriptional regulator (monoclinic form)”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.72). MolNFT v1 #12099 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K6J
Type: protein
Length: 643 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nmra
UniProt: O59919
Ligands: CL
Pockets: 7 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nmra	protein	322	40% helix, 18% strand	O59919
B	Nmra	protein	321	40% helix, 18% strand	—

Ligands and binding sites

CL · Chloride ion · ion · 7 copies · chains A, 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	496	0.72	0.81	47	empty
2	470	0.70	0.80	44	empty
3	98	0.51	0.83	25	empty
4	53	0.50	0.87	17	empty
5	55	0.49	0.86	17	empty

Interfaces

1 interface between chains.

A–B · 615 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

1K6J · Crystal structure of Nmra, a negative transcriptional regulator (Monoclinic form) · 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 O59919
Elsewhere: RCSB PDB 1K6J · PDBe 1K6J · UniProt O59919

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