2GRJ

Crystal structure of Dephospho-CoA kinase (EC 2.7.1.24) (Dephosphocoenzyme A kinase) (tm1387) from THERMOTOGA MARITIMA at 2.60 A resolution

PDB DOI: https://doi.org/10.2210/pdb2GRJ/pdb

Classification: TRANSFERASE
Organism(s): Thermotoga maritima
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2006-04-24 Released: 2006-05-23
Deposition Author(s): Joint Center for Structural Genomics (JCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.60 Å
R-Value Free: 0.245
R-Value Work: 0.191
R-Value Observed: 0.193

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.4 of the entry. See complete history.

Literature

Crystal structure of Dephospho-CoA kinase (EC 2.7.1.24) (Dephosphocoenzyme A kinase) (tm1387) from THERMOTOGA MARITIMA at 2.60 A resolution

Joint Center for Structural Genomics (JCSG)

To be published.

Macromolecule Content

Total Structure Weight: 185.56 kDa
Atom Count: 11,485
Modelled Residue Count: 1,432
Deposited Residue Count: 1,536
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Dephospho-CoA kinase	A, B, C, D, E A, B, C, D, E, F, G, H	192	Thermotoga maritima	Mutation(s): 4 Gene Names: coaE EC: 2.7.1.24
UniProt
Find proteins for Q9X1A7 (Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8)) Explore Q9X1A7 Go to UniProtKB: Q9X1A7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9X1A7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
COD Query on COD Download Ideal Coordinates CCD File SDF format, chain BA [auth H] SDF format, chain J [auth A] SDF format, chain L [auth B] SDF format, chain O [auth C] SDF format, chain Q [auth D] SDF format, chain U [auth E] SDF format, chain W [auth F] SDF format, chain Y [auth G] MOL2 format, chain BA [auth H] MOL2 format, chain J [auth A] MOL2 format, chain L [auth B] MOL2 format, chain O [auth C] MOL2 format, chain Q [auth D] MOL2 format, chain U [auth E] MOL2 format, chain W [auth F] MOL2 format, chain Y [auth G] mmCIF format, chain BA [auth H] mmCIF format, chain J [auth A] mmCIF format, chain L [auth B] mmCIF format, chain O [auth C] mmCIF format, chain Q [auth D] mmCIF format, chain U [auth E] mmCIF format, chain W [auth F] mmCIF format, chain Y [auth G]	BA [auth H] J [auth A] L [auth B] O [auth C] Q [auth D] BA [auth H], J [auth A], L [auth B], O [auth C], Q [auth D], U [auth E], W [auth F], Y [auth G]	DEPHOSPHO COENZYME A C₂₁ H₃₅ N₇ O₁₃ P₂ S KDTSHFARGAKYJN-IBOSZNHHSA-N		Interactions Focus chain BA [auth H] Focus chain J [auth A] Focus chain L [auth B] Focus chain O [auth C] Focus chain Q [auth D] Focus chain U [auth E] Focus chain W [auth F] Focus chain Y [auth G] Interactions & Density Focus chain BA [auth H] Focus chain J [auth A] Focus chain L [auth B] Focus chain O [auth C] Focus chain Q [auth D] Focus chain U [auth E] Focus chain W [auth F] Focus chain Y [auth G]
ADP Query on ADP Download Ideal Coordinates CCD File SDF format, chain AA [auth H] SDF format, chain I [auth A] SDF format, chain K [auth B] SDF format, chain N [auth C] SDF format, chain P [auth D] SDF format, chain T [auth E] SDF format, chain V [auth F] SDF format, chain X [auth G] MOL2 format, chain AA [auth H] MOL2 format, chain I [auth A] MOL2 format, chain K [auth B] MOL2 format, chain N [auth C] MOL2 format, chain P [auth D] MOL2 format, chain T [auth E] MOL2 format, chain V [auth F] MOL2 format, chain X [auth G] mmCIF format, chain AA [auth H] mmCIF format, chain I [auth A] mmCIF format, chain K [auth B] mmCIF format, chain N [auth C] mmCIF format, chain P [auth D] mmCIF format, chain T [auth E] mmCIF format, chain V [auth F] mmCIF format, chain X [auth G]	AA [auth H] I [auth A] K [auth B] N [auth C] P [auth D] AA [auth H], I [auth A], K [auth B], N [auth C], P [auth D], T [auth E], V [auth F], X [auth G]	ADENOSINE-5'-DIPHOSPHATE C₁₀ H₁₅ N₅ O₁₀ P₂ XTWYTFMLZFPYCI-KQYNXXCUSA-N		Interactions Focus chain AA [auth H] Focus chain I [auth A] Focus chain K [auth B] Focus chain N [auth C] Focus chain P [auth D] Focus chain T [auth E] Focus chain V [auth F] Focus chain X [auth G] Interactions & Density Focus chain AA [auth H] Focus chain I [auth A] Focus chain K [auth B] Focus chain N [auth C] Focus chain P [auth D] Focus chain T [auth E] Focus chain V [auth F] Focus chain X [auth G]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain M [auth C] SDF format, chain R [auth E] SDF format, chain S [auth E] SDF format, chain Z [auth H] MOL2 format, chain M [auth C] MOL2 format, chain R [auth E] MOL2 format, chain S [auth E] MOL2 format, chain Z [auth H] mmCIF format, chain M [auth C] mmCIF format, chain R [auth E] mmCIF format, chain S [auth E] mmCIF format, chain Z [auth H]	M [auth C], R [auth E], S [auth E], Z [auth H]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain M [auth C] Focus chain R [auth E] Focus chain S [auth E] Focus chain Z [auth H] Interactions & Density Focus chain M [auth C] Focus chain R [auth E] Focus chain S [auth E] Focus chain Z [auth H]