Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound
Wu, D., Ouyang, P., Lu, W., Huang, J.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 |
Dihydroorotate dehydrogenase (quinone), mitochondrial | 390 | Homo sapiens | Mutation(s): 0  Gene Names: DHODH EC: 1.3.5.2 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q02127 (Homo sapiens) Explore Q02127  Go to UniProtKB:  Q02127 | |||||
PHAROS:  Q02127 GTEx:  ENSG00000102967  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q02127 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
FMN Query on FMN | C [auth A] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N | |||
52Y Query on 52Y | B [auth A] | methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate C20 H15 F N2 O4 S VIKSKZVEJICSLD-CYVLTUHYSA-N | |||
ORO Query on ORO | D [auth A] | OROTIC ACID C5 H4 N2 O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N | |||
SO4 Query on SO4 | E [auth A] F [auth A] G [auth A] H [auth A] I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 90.721 | α = 90 |
b = 90.721 | β = 90 |
c = 123.02 | γ = 120 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
HKL-2000 | data collection |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
MOLREP | model building |
MOLREP | phasing |