MolNFT v1 · #32368 · protein

Human procarboxypeptidase A4.

2BOA: “Human procarboxypeptidase A4.”. X-ray diffraction, 2 ligands (NAG, ZN), 6 pockets (best druggability 0.80). MolNFT v1 #32368 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BOA
Type: protein
Length: 808 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carboxypeptidase A4
UniProt: Q9UI42
Ligands: NAG, ZN
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Carboxypeptidase A4	protein	404	41% helix, 18% strand	Q9UI42

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains B, A
ZN · Zinc ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

6 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	1011	0.80	0.82	82	GOL
2	537	0.76	0.83	59	empty
3	544	0.75	0.83	70	empty
4	65	0.41	0.80	14	GOL
5	76	0.32	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 667 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

2BOA · Human procarboxypeptidase A4. · the same entry in another collection · chain A against A, TM-score 1.00
Q9UI42 · AlphaFold monomer V2.0 prediction for carboxypeptidase A4 (Q9UI42) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9UI42
Elsewhere: RCSB PDB 2BOA · PDBe 2BOA · UniProt Q9UI42

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