MolNFT v1 · #149544 · protein

Mycobacterial hydrolase complex 14.

6G3N: “Mycobacterial hydrolase complex 14.”. X-ray diffraction, 1 ligand (SER), 5 pockets (best druggability 0.84). MolNFT v1 #149544 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6G3N
Type: protein
Length: 890 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mycobacterial hydrolase
UniProt: K5BDL0
Ligands: SER
Pockets: 5 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mycobacterial hydrolase	protein	445	50% helix, 6% strand	K5BDL0

Ligands and binding sites

SER · Serine · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 7 copies · chains A, B

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

Pockets

5 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	994	0.84	0.85	87	empty
2	89	0.79	0.99	23	GOL, SER
3	86	0.77	0.98	22	GOL, SER
4	74	0.47	0.82	11	empty
5	50	0.35	0.79	15	empty

Interfaces

1 interface between chains.

A–B · 640 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6G3N · Mycobacterial hydrolase complex 14. · the same entry in another collection · chain A against A, TM-score 1.00
K5BDL0 · AlphaFold monomer V2.0 prediction for glucosylglycerate hydrolase (K5BDL0) · a predicted model of the same protein · 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 K5BDL0
Elsewhere: RCSB PDB 6G3N · PDBe 6G3N · UniProt K5BDL0

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