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X-ray crystal structure of gamma-chymotrypsin in hexane

Analyse X-ray crystal structure of gamma-chymotrypsin in hexane in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1GMD
Type: protein
Length: 241 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gamma-chymotrypsin a; Pro gly ala tyr asp peptide
EC: 3.4.21.1
UniProt: P00766

Structure

x-ray diffraction · 4 distinct chains · 11% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Gamma-chymotrypsin a (EC 3.4.21.1)	protein	10	0% helix, 0% strand	P00766
F	Gamma-chymotrypsin a (EC 3.4.21.1)	protein	131	2% helix, 38% strand	P00766
G	Gamma-chymotrypsin a (EC 3.4.21.1)	protein	95	25% helix, 39% strand	P00766
B	Pro gly ala tyr asp peptide	protein	5	0% helix, 40% strand	—

Ligands and binding sites

HEX · Hexane · additive · 7 copies · chains E, F, G

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

Interfaces

5 interfaces between chains.

F–G · 2937 Å² buried · 42 hydrogen bonds · protein-protein
E–F · 495 Å² buried · 1 hydrogen bond · protein-protein
G–B · 382 Å² buried · 14 hydrogen bonds · protein-protein
E–G · 231 Å² buried · 2 hydrogen bonds · protein-protein
F–B · 121 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

1GMD · X-ray crystal structure of gamma-chymotrypsin in hexane · the same entry in another collection · chain E against E, TM-score 1.00
P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain G 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 P00766
Elsewhere: RCSB PDB 1GMD · PDBe 1GMD · UniProt P00766

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