4GM5

Carboxypeptidase T with Sulphamoil Arginine

PDB DOI: https://doi.org/10.2210/pdb4GM5/pdb

Classification: HYDROLASE/HYDROLASE inhibitor
Organism(s): Thermoactinomyces vulgaris
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2012-08-15 Released: 2013-08-21
Deposition Author(s): Kuznetsov, S.A., Timofeev, V.I., Akparov, V.K., Kuranova, I.P.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.39 Å
R-Value Free: 0.162
R-Value Work: 0.142
R-Value Observed: 0.143

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Carboxypeptidase T with Sulphamoil Arginine

Kuznetsov, S.A., Timofeev, V.I., Akparov, V.K., Kuranova, I.P.

To be published.

Macromolecule Content

Total Structure Weight: 39.09 kDa
Atom Count: 3,399
Modelled Residue Count: 323
Deposited Residue Count: 323
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Carboxypeptidase T	A	323	Thermoactinomyces vulgaris	Mutation(s): 0 Gene Names: cpt EC: 3.4.17.18
UniProt
Find proteins for P29068 (Thermoactinomyces vulgaris) Explore P29068 Go to UniProtKB: P29068
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P29068
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
0X9 Query on 0X9 Download Ideal Coordinates CCD File SDF format, chain I [auth A] MOL2 format, chain I [auth A]	I [auth A]	N~2~-sulfamoyl-L-arginine C₆ H₁₅ N₅ O₄ S PBEOTCYEZLQJNW-BYPYZUCNSA-N		Interactions Focus chain I [auth A] Interactions & Density Focus chain I [auth A]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain Q [auth A] SDF format, chain R [auth A] SDF format, chain W [auth A] SDF format, chain Y [auth A] SDF format, chain AA [auth A] SDF format, chain S [auth A] SDF format, chain Z [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain Q [auth A] MOL2 format, chain R [auth A] MOL2 format, chain W [auth A] MOL2 format, chain Y [auth A] MOL2 format, chain AA [auth A] MOL2 format, chain S [auth A] MOL2 format, chain Z [auth A]	AA [auth A] G [auth A] H [auth A] Q [auth A] R [auth A] AA [auth A], G [auth A], H [auth A], Q [auth A], R [auth A], S [auth A], W [auth A], Y [auth A], Z [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain AA [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain Q [auth A] Focus chain R [auth A] Focus chain S [auth A] Focus chain W [auth A] Focus chain Y [auth A] Focus chain Z [auth A] Interactions & Density Focus chain AA [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain Q [auth A] Focus chain R [auth A] Focus chain S [auth A] Focus chain W [auth A] Focus chain Y [auth A] Focus chain Z [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain BA [auth A] SDF format, chain L [auth A] SDF format, chain N [auth A] SDF format, chain U [auth A] SDF format, chain V [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain M [auth A] SDF format, chain O [auth A] SDF format, chain P [auth A] SDF format, chain T [auth A] SDF format, chain X [auth A] MOL2 format, chain BA [auth A] MOL2 format, chain L [auth A] MOL2 format, chain N [auth A] MOL2 format, chain U [auth A] MOL2 format, chain V [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain M [auth A] MOL2 format, chain O [auth A] MOL2 format, chain P [auth A] MOL2 format, chain T [auth A] MOL2 format, chain X [auth A]	BA [auth A] J [auth A] K [auth A] L [auth A] M [auth A] BA [auth A], J [auth A], K [auth A], L [auth A], M [auth A], N [auth A], O [auth A], P [auth A], T [auth A], U [auth A], V [auth A], X [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain BA [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain P [auth A] Focus chain T [auth A] Focus chain U [auth A] Focus chain V [auth A] Focus chain X [auth A] Interactions & Density Focus chain BA [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain P [auth A] Focus chain T [auth A] Focus chain U [auth A] Focus chain V [auth A] Focus chain X [auth A]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
CA Query on CA Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain F [auth A] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A]	C [auth A], D [auth A], E [auth A], F [auth A]	CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A]