Structure of PDB 6ma3 Chain A

Receptor sequence

>6ma3A (length=697) Species: 9606 (Homo sapiens)

CPTHADSLNNLANIKREQGNIEEAVRLYRKALEVFPEFAAAHSNLASVLQ
QQGKLQEALMHYKEAIRISPTFADAYSNMGNTLKEMQDVQGALQCYTRAI
QINPAFADAHSNLASIHKDSGNIPEAIASYRTALKLKPDFPDAYCNLAHC
LQIVCDWTDYDERMKKLVSIVADQLEKNRLPSVHPHHSMLYPLSHGFRKA
IAERHGNLCLDKINVLHKPPYEHPKDLKLSDGRLRVGYVSSDFGNHPTSH
LMQSIPGMHNPDKFEVFCYALSPDDGTNFRVKVMAEANHFIDLSQIPCNG
KAADRIHQDGIHILVNMNGYTKGARNELFALRPAPIQAMWLGYPGTSGAL
FMDYIITDQETSPAEVAEQYSEKLAYMPHTFFIGDHANMFPHLKKKAVID
FKIYDNRIVLNGIDLKAFLDSLPDVKIVKMLNMPVIPMNTIAEAVIEMIN
RGQIQITINGFSISNGLATTQINNKAATGEEVPRTIIVTTRSQYGLPEDA
IVYCNFNQLYKIDPSTLQMWANILKRVPNSVLWLLRFPAVGEPNIQQYAQ
NMGLPQNRIIFSPVAPKEEHVRRGQLADVCLDTPLCNGHTTGMDVLWAGT
PMVTMPGETLASRVAASQLTCLGCLELIAKNRQEYEDIAVKLGTDLEYLK
KVRGKVWKQRISSPLFNTKQYTMELERLYLQMWEHYAAGNKPDHMIK

3D structure

• PDB: 6ma3 Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Enzyme Commision number: 2.4.1.255: protein O-GlcNAc transferase.

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	peptide	A	D318 N321 N322 N325 N356 S359 Q362 F384 D386 N390 N393 K396 F418 D420 N424 S427 D431 F452 D454 N458 H496 H499 K634	D6 N9 N10 N13 N44 S47 Q50 F72 D74 N78 N81 K84 F106 D108 N112 S115 D119 F140 D142 N146 H184 H187 K322
BS02	JAJ	A	H558 P559 H562 Q839 L866 F868 V895 A896 K898 H901 T921	H246 P247 H250 Q508 L535 F537 V564 A565 K567 H570 T590	MOAD: Kd=0.005uM PDBbind-CN: -logKd/Ki=8.30,Kd=0.005uM

External links

• PDB: RCSB:6ma3, PDBe:6ma3, PDBj:6ma3
• PDBsum: 6ma3
• PubMed: 30285435
• UniProt: O15294|OGT1_HUMAN UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (Gene Name=OGT)