6DI8

Crystal structure of bovine alpha-chymotrypsin in space group P65

PDB DOI: https://doi.org/10.2210/pdb6DI8/pdb

Classification: HYDROLASE
Organism(s): Bos taurus
Mutation(s): No

Deposited: 2018-05-23 Released: 2019-01-23
Deposition Author(s): Marshall, A.C., Keiller, B.G., Bruning, J.B.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.86 Å
R-Value Free: 0.225
R-Value Work: 0.189
R-Value Observed: 0.190

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

Crystal Structure of Bovine Alpha-Chymotrypsin in Space Group P65

Marshall, A.C., Keiller, B.G., Pederick, J.L., Abell, A.D., Bruning, J.B.

(2018) Crystals (Basel) 8: 460-466

DOI: https://doi.org/10.3390/cryst8120460

Macromolecule Content

Total Structure Weight: 102.3 kDa
Atom Count: 8,366
Modelled Residue Count: 964
Deposited Residue Count: 964
Unique protein chains: 3

Macromolecules

Find similar proteins by: Sequence | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Chymotrypsin A chain A	A, D, G, J	13	Bos taurus	Mutation(s): 0 EC: 3.4.21.1
UniProt
Find proteins for P00766 (Bos taurus) Explore P00766 Go to UniProtKB: P00766
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00766
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Chymotrypsin A chain B	B, E, H, K	131	Bos taurus	Mutation(s): 0 EC: 3.4.21.1
UniProt
Find proteins for P00766 (Bos taurus) Explore P00766 Go to UniProtKB: P00766
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00766
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
Chymotrypsin A chain C	C, F, I, L	97	Bos taurus	Mutation(s): 0 EC: 3.4.21.1
UniProt
Find proteins for P00766 (Bos taurus) Explore P00766 Go to UniProtKB: P00766
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00766
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain M [auth B] SDF format, chain N [auth B] SDF format, chain O [auth B] SDF format, chain P [auth C] SDF format, chain Q [auth C] SDF format, chain R [auth E] SDF format, chain S [auth E] SDF format, chain T [auth H] SDF format, chain U [auth I] SDF format, chain V [auth K] SDF format, chain W [auth K] SDF format, chain X [auth L] SDF format, chain Y [auth L] MOL2 format, chain M [auth B] MOL2 format, chain N [auth B] MOL2 format, chain O [auth B] MOL2 format, chain P [auth C] MOL2 format, chain Q [auth C] MOL2 format, chain R [auth E] MOL2 format, chain S [auth E] MOL2 format, chain T [auth H] MOL2 format, chain U [auth I] MOL2 format, chain V [auth K] MOL2 format, chain W [auth K] MOL2 format, chain X [auth L] MOL2 format, chain Y [auth L]	M [auth B] N [auth B] O [auth B] P [auth C] Q [auth C] M [auth B], N [auth B], O [auth B], P [auth C], Q [auth C], R [auth E], S [auth E], T [auth H], U [auth I], V [auth K], W [auth K], X [auth L], Y [auth L]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain P [auth C] Focus chain Q [auth C] Focus chain R [auth E] Focus chain S [auth E] Focus chain T [auth H] Focus chain U [auth I] Focus chain V [auth K] Focus chain W [auth K] Focus chain X [auth L] Focus chain Y [auth L] Interactions & Density Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain P [auth C] Focus chain Q [auth C] Focus chain R [auth E] Focus chain S [auth E] Focus chain T [auth H] Focus chain U [auth I] Focus chain V [auth K] Focus chain W [auth K] Focus chain X [auth L] Focus chain Y [auth L]