Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109
Kim, Y., Makowska-Grzyska, M., Gu, M., Hedstrom, L., Anderson, W.F., Joachimiak, A.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Inosine-5'-monophosphate dehydrogenase | 361 | Cryptosporidium parvum | Mutation(s): 2 Gene Names: 56k.02, cgd6_20 EC: 1.1.1.205 | ![]() | |
UniProt | |||||
Find proteins for Q8T6T2 (Cryptosporidium parvum) Explore Q8T6T2 Go to UniProtKB: Q8T6T2 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q8T6T2 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
N09 Query on N09 | F [auth A], H [auth B], I [auth B], N [auth D] | N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide C19 H14 Cl N3 O4 DJHSRZJOSYWGCG-UHFFFAOYSA-N | |||
IMP Query on IMP | E [auth A], G [auth B], K [auth C], M [auth D] | INOSINIC ACID C10 H13 N4 O8 P GRSZFWQUAKGDAV-KQYNXXCUSA-N | |||
EDO Query on EDO | L [auth C], O [auth D], Q [auth D] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
ACY Query on ACY | J [auth B] | ACETIC ACID C2 H4 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N | |||
FMT Query on FMT | P [auth D] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 90.412 | α = 90 |
b = 92.337 | β = 104.24 |
c = 91.914 | γ = 90 |
Software Name | Purpose |
---|---|
SBC-Collect | data collection |
HKL-3000 | data collection |
HKL-3000 | phasing |
MOLREP | phasing |
PHENIX | refinement |
HKL-3000 | data reduction |
HKL-3000 | data scaling |