MolNFT v1 · #111872 · protein

Crystal structure of the lectin domain of papg from E. COLI BI47 in space group P1

4Z3J · Papg, lectin domain: “Crystal structure of the lectin domain of papg from E. COLI BI47 in space group P1”. X-ray diffraction, 8 pockets (best druggability 0.68). MolNFT v1 #111872 on GenesisL1: 3D structure, binding sites and…

PDB: 4Z3J
Type: protein
Length: 783 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Papg, lectin domain
UniProt: T7DCJ2
Pockets: 8 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Papg, lectin domain	protein	196	2% helix, 58% strand	T7DCJ2
D	Papg, lectin domain	protein	195	2% helix, 58% strand	T7DCJ2

Pockets

8 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	594	0.68	0.77	58	empty
2	310	0.51	0.73	32	empty
3	140	0.48	0.78	17	empty
4	177	0.46	0.75	21	empty
5	51	0.34	0.79	16	empty

Interfaces

2 interfaces between chains.

C–D · 362 Å² buried · 1 hydrogen bond · protein-protein
A–B · 294 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4Z3J · Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 · 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 T7DCJ2
Elsewhere: RCSB PDB 4Z3J · PDBe 4Z3J · UniProt T7DCJ2

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