Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac
Shafqat, N., Yue, W.W., Niesen, F., Oppermann, U.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 |
ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2 | 341 | Homo sapiens | Mutation(s): 0  EC: 1 (PDB Primary Data), 1.3.1.48 (UniProt) | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q8N4Q0 (Homo sapiens) Explore Q8N4Q0  Go to UniProtKB:  Q8N4Q0 | |||||
PHAROS:  Q8N4Q0 GTEx:  ENSG00000180011  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q8N4Q0 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAP Query on NAP | C [auth A], N [auth B] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N | |||
DIF Query on DIF | D [auth A] E [auth A] F [auth A] G [auth A] O [auth B] | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID C14 H11 Cl2 N O2 DCOPUUMXTXDBNB-UHFFFAOYSA-N | |||
PO4 Query on PO4 | H [auth A], S [auth B] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
GOL Query on GOL | J [auth A], K [auth A], L [auth A], T [auth B], U [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
CL Query on CL | I [auth A], M [auth A], V [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Length ( ? ) | Angle ( ? ) |
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a = 46.834 | ¦Á = 94.61 |
b = 51.572 | ¦Â = 91.54 |
c = 75.716 | ¦Ã = 101.72 |
Software Name | Purpose |
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REFMAC | refinement |
MOSFLM | data reduction |
SCALA | data scaling |
PHASER | phasing |