MolNFT v1 · #124413 · protein

Mycobacterium smegmatis mbta apo structure

5KEI · 2,3-dihydroxybenzoate-AMP ligase: “Mycobacterium smegmatis mbta apo structure”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #124413 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5KEI
Type: protein
Length: 527 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2,3-dihydroxybenzoate-AMP ligase
EC: 6.3.2.-
UniProt: A0R0V0
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2,3-dihydroxybenzoate-AMP ligase (EC 6.3.2.-)	protein	527	31% helix, 24% strand	A0R0V0

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	771	0.76	0.80	89	empty
2	216	0.55	0.78	24	empty
3	61	0.32	0.76	18	empty
4	64	0.30	0.74	16	empty

Compared structures

5KEI · Mycobacterium smegmatis MbtA apo structure · 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 A0R0V0
Elsewhere: RCSB PDB 5KEI · PDBe 5KEI · UniProt A0R0V0

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