5UZC | pdb_00005uzc

Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221

PDB DOI: https://doi.org/10.2210/pdb5UZC/pdb

Classification: oxidoreductase/oxidoreductase inhibitor
Organism(s): Clostridium perfringens ATCC 13124
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2017-02-26 Released: 2017-03-22
Deposition Author(s): Maltseva, N., Kim, Y., Mulligan, R., Makowska-Grzyska, M., Gu, M., Gollapalli, D.R., Hedstrom, L., Joachimiak, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.85 Å
R-Value Free:
0.201 (Depositor), 0.200 (DCC)
R-Value Work:
0.171 (Depositor), 0.170 (DCC)
R-Value Observed:
0.172 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221

Maltseva, N., Kim, Y., Mulligan, R., Makowska-Grzyska, M., Gu, M., Gollapalli, D.R., Hedstrom, L., Joachimiak, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)

To be published.

Macromolecule Content

Total Structure Weight: 157.81 kDa
Atom Count: 11,053
Modelled Residue Count: 1,378
Deposited Residue Count: 1,452
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Inosine-5'-monophosphate dehydrogenase	A, B, C, D	363	Clostridium perfringens ATCC 13124	Mutation(s): 0 Gene Names: guaB, CPF_2558 EC: 1.1.1.205
UniProt
Find proteins for A0A0H2YRZ7 (Clostridium perfringens (strain ATCC 13124 / DSM 756 / JCM 1290 / NCIMB 6125 / NCTC 8237 / Type A)) Explore A0A0H2YRZ7 Go to UniProtKB: A0A0H2YRZ7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A0H2YRZ7
Sequence Annotations Expand
Reference Sequence LOADING

Small Molecules

Ligands 6 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
8N1 Query on 8N1 Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain S [auth D] SDF format, chain K [auth B] SDF format, chain O [auth C] MOL2 format, chain F [auth A] MOL2 format, chain S [auth D] MOL2 format, chain K [auth B] MOL2 format, chain O [auth C] mmCIF format, chain F [auth A] mmCIF format, chain S [auth D] mmCIF format, chain K [auth B] mmCIF format, chain O [auth C]	F [auth A], K [auth B], O [auth C], S [auth D]	N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine C₂₄ H₃₀ Cl N₃ O₅ RGENKIJBZZZCQP-CIAFKFPVSA-N		Interactions Focus chain F [auth A] Focus chain K [auth B] Focus chain O [auth C] Focus chain S [auth D] Interactions & Density Focus chain F [auth A] Focus chain K [auth B] Focus chain O [auth C] Focus chain S [auth D]
IMP Query on IMP Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain N [auth C] SDF format, chain J [auth B] SDF format, chain R [auth D] MOL2 format, chain E [auth A] MOL2 format, chain N [auth C] MOL2 format, chain J [auth B] MOL2 format, chain R [auth D] mmCIF format, chain E [auth A] mmCIF format, chain N [auth C] mmCIF format, chain J [auth B] mmCIF format, chain R [auth D]	E [auth A], J [auth B], N [auth C], R [auth D]	INOSINIC ACID C₁₀ H₁₃ N₄ O₈ P GRSZFWQUAKGDAV-KQYNXXCUSA-N		Interactions Focus chain E [auth A] Focus chain J [auth B] Focus chain N [auth C] Focus chain R [auth D] Interactions & Density Focus chain E [auth A] Focus chain J [auth B] Focus chain N [auth C] Focus chain R [auth D]
MRD Query on MRD Download Ideal Coordinates CCD File SDF format, chain P [auth C] MOL2 format, chain P [auth C] mmCIF format, chain P [auth C]	P [auth C]	(4R)-2-METHYLPENTANE-2,4-DIOL C₆ H₁₄ O₂ SVTBMSDMJJWYQN-RXMQYKEDSA-N		Interactions Focus chain P [auth C] Interactions & Density Focus chain P [auth C]
MPD Query on MPD Download Ideal Coordinates CCD File SDF format, chain L [auth B] SDF format, chain T [auth D] SDF format, chain G [auth A] MOL2 format, chain L [auth B] MOL2 format, chain T [auth D] MOL2 format, chain G [auth A] mmCIF format, chain L [auth B] mmCIF format, chain T [auth D] mmCIF format, chain G [auth A]	G [auth A], L [auth B], T [auth D]	(4S)-2-METHYL-2,4-PENTANEDIOL C₆ H₁₄ O₂ SVTBMSDMJJWYQN-YFKPBYRVSA-N		Interactions Focus chain G [auth A] Focus chain L [auth B] Focus chain T [auth D] Interactions & Density Focus chain G [auth A] Focus chain L [auth B] Focus chain T [auth D]
ACY Query on ACY Download Ideal Coordinates CCD File SDF format, chain Q [auth C] SDF format, chain U [auth D] SDF format, chain H [auth A] MOL2 format, chain Q [auth C] MOL2 format, chain U [auth D] MOL2 format, chain H [auth A] mmCIF format, chain Q [auth C] mmCIF format, chain U [auth D] mmCIF format, chain H [auth A]	H [auth A], Q [auth C], U [auth D]	ACETIC ACID C₂ H₄ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-N		Interactions Focus chain H [auth A] Focus chain Q [auth C] Focus chain U [auth D] Interactions & Density Focus chain H [auth A] Focus chain Q [auth C] Focus chain U [auth D]
FMT Query on FMT Download Ideal Coordinates CCD File SDF format, chain M [auth B] SDF format, chain I [auth A] MOL2 format, chain M [auth B] MOL2 format, chain I [auth A] mmCIF format, chain M [auth B] mmCIF format, chain I [auth A]	I [auth A], M [auth B]	FORMIC ACID C H₂ O₂ BDAGIHXWWSANSR-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Focus chain M [auth B] Interactions & Density Focus chain I [auth A] Focus chain M [auth B]