Structure of PDB 4ixh Chain A

Receptor sequence
>4ixhA (length=336) Species: 5807 (Cryptosporidium parvum) [Search protein sequence]
MGTKNIGKGLTFEDILLVPNYSEVLPREVSLETKLTKNVSLKIPLISSAM
DTVTEHLMAVGMARLGGIGIIHKNMDMESQVNEVLKVKNSGGLRVGAAIG
VNEIERAKLLVEAGVDVIVLDSAHGHSLNIIRTLKEIKSKMNIDVIVGNV
VTEEATKELIENGADGIKVGIGPGSICTTRIVAGVGVPQITAIEKCSSVA
SKFGIPIIADGGIRYSGDIGKALAVGASSVMIGSILAGTEESPGEKELIG
DTVYKYYRGMGSVGAMKSGMVPEGIEGRVKYKGEMEGVVYQLVGGLRSCM
GYLGSASIEELWKKSSYVEITTSGLRESHVHDVEIV
3D structure
PDB4ixh Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase.
ChainA
Resolution2.105 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.1.1.205: IMP dehydrogenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 IMP A S48 M50 G216 S217 I218 C219 D252 G254 G275 S276 Y299 G301 M302 G303 E329 S48 M50 G174 S175 I176 C177 D210 G212 G233 S234 Y257 G259 M260 G261 E273
BS02 Q21 A S22 V24 L25 P26 S354 Y358 S22 V24 L25 P26 S298 Y302 MOAD: ic50=6.1nM
PDBbind-CN: -logKd/Ki=8.21,IC50=6.1nM
BindingDB: IC50=8.0nM,Ki=13nM
BS03 Q21 A A165 S169 M302 G303 M326 E329 A123 S127 M260 G261 M270 E273 MOAD: ic50=6.1nM
PDBbind-CN: -logKd/Ki=8.21,IC50=6.1nM
BindingDB: IC50=8.0nM,Ki=13nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003938 IMP dehydrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ixh, PDBe:4ixh, PDBj:4ixh
PDBsum4ixh
PubMed23668331
UniProtQ8T6T2|IMDH_CRYPV Inosine-5'-monophosphate dehydrogenase (Gene Name=56k.02)

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