MolNFT v1 · #37493 · protein

A PE/PPE protein complex from mycobacterium tuberculosis

2G38 · Pe family protein: “A PE/PPE protein complex from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (MN), 2 pockets (best druggability 0.51). MolNFT v1 #37493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2G38
Type: protein
Length: 499 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pe family protein; Ppe family protein
Ligands: MN
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pe family protein	protein	77	83% helix, 0% strand	—
B, D	Ppe family protein	protein	173	76% helix, 0% strand	—
C	Pe family protein	protein	76	84% helix, 0% strand	—

Ligands and binding sites

MN · Manganese (II) ion · metal · 2 copies · chains B, D

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

Pockets

2 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	233	0.51	0.76	27	empty
2	125	0.38	0.74	21	empty

Interfaces

3 interfaces between chains.

C–D · 2008 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 2000 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 197 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2G38 · A PE/PPE Protein Complex from Mycobacterium tuberculosis · 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
Elsewhere: RCSB PDB 2G38 · PDBe 2G38

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