Structure of PDB 5n53 Chain B

Receptor sequence
>5n53B (length=195) Species: 9606 (Homo sapiens) [Search protein sequence]
NGNSLSAAELTCGMIMCLARQIPQATASMKDGKWERKKFMGTELNGKTLG
ILGLGRIGREVATRMQSFGMKTIGYDPIISPEVSASFGVQQLPLEEIWPL
CDFITVHTPLLPSTTGLLNDNTFAQCKKGVRVVNCARGGIVDEGALLRAL
QSGQCAGAALDVFTEEPPRDRALVDHENVISCPHLGASTKEAQSR
3D structure
PDB5n53 Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
ChainB
Resolution1.48 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N102 R236 D260 E265 H283
Catalytic site (residue number reindexed from 1) N3 R137 D161 E166 H184
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
1.1.1.399: 2-oxoglutarate reductase.
1.1.1.95: phosphoglycerate 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 8NB B Y174 P176 T207 P208 T213 Y75 P77 T108 P109 T114 MOAD: Kd=2.8mM
PDBbind-CN: -logKd/Ki=2.55,Kd=2.8mM
BindingDB: Kd=2800000nM
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5n53, PDBe:5n53, PDBj:5n53
PDBsum5n53
PubMed29568346
UniProtO43175|SERA_HUMAN D-3-phosphoglycerate dehydrogenase (Gene Name=PHGDH)

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