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Cis-4-aminomethylphenylazobenzoic acid-avian pancreatic polypeptide

Analyse Cis-4-aminomethylphenylazobenzoic acid-avian pancreatic polypeptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2H4B
Type: protein
Length: 66 residues
Chains: 4
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pancreatic hormone
UniProt: P68249
Ligands: ZAB, NH2
Pockets: 1 · best druggability 0.40

Structure

solution nmr · 2 distinct chains · 55% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pancreatic hormone	protein	9	0% helix, 0% strand	P68249
C, D	Pancreatic hormone	protein	24	75% helix, 0% strand	P68249

Ligands and binding sites

ZAB · (3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid · ligand · 2 copies · chains A, C, B, D
NH2 · Amino group · ion · 2 copies · chains C, D

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	73	0.40	0.78	17	empty

Interfaces

4 interfaces between chains.

C–D · 510 Å² buried · 1 hydrogen bond · protein-protein
B–D · 128 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 102 Å² buried · 0 hydrogen bonds · protein-protein
C–B · 19 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

2H4B · cis-4-aminomethylphenylazobenzoic acid-avian pancreatic polypeptide · the same entry in another collection · chain B against B, TM-score 1.00
P68249 · AlphaFold monomer V2.0 prediction for pancreatic hormone (P68249) · a predicted model of the same protein · chain B against A, TM-score 0.37

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 P68249
Elsewhere: RCSB PDB 2H4B · PDBe 2H4B · UniProt P68249

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