Structure of PDB 2nvu Chain B Binding Site BS01

Receptor Information
>2nvu Chain B (length=789) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQV
AATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYN
GKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFN
LQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIK
NKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTF
KGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKVAL
KSYEEEATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALA
AAQTNAAADWEGRWNHVKKFLERSGPFTHPDFEPSTESLQFLLDTCKVLV
IGAGGLGCELLKNLALSGFRQIHVIDMDTIDVSNLNRQFLFRPKDIGRPK
AEVAAEFLNDRVPNCNVVPHFNKIQDFNDTFYRQFHIIVCGLDSIIARRW
INGMLISLLNYEDGVLDPSSIVPLIDGGTEGFKGNARVILPGMTACIECT
LELYPPQVNFPMCTIASMPRLPEHCIEYVRMLQWPKEQPFGEGVPLDGDD
PEHIQWIFQKSLERASQYNIRGVTYRLTQGVVKRIIPAVASTNAVIAAVC
ATEVFKIATSAYIPLNNYLVFNDVDGLYTYTFEAERKENCPACSQLPQNI
QFSPSAKLQEVLDYLTNSASLQMKSPAITATLEGKNRTLYLQSVTSIEER
TRPNLSKTLKELGLVDGQELAVADVTTPQTVLFKLHFTS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2nvu Chain B Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nvu Basis for a ubiquitin-like protein thioester switch toggling E1-E2 affinity.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C2199 C2343 C2346
Binding residue
(residue number reindexed from 1)		C546 C690 C693
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K2021 D2146 C2216 T2217 A2219
Catalytic site (residue number reindexed from 1) K368 D493 C563 T564 A566
Enzyme Commision number 6.2.1.64: E1 NEDD8-activating enzyme.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008641 ubiquitin-like modifier activating enzyme activity
GO:0015144 carbohydrate transmembrane transporter activity
GO:0016874 ligase activity
GO:0019781 NEDD8 activating enzyme activity
GO:0019788 NEDD8 transferase activity
GO:0042802 identical protein binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0000278 mitotic cell cycle
GO:0006508 proteolysis
GO:0007113 endomitotic cell cycle
GO:0008643 carbohydrate transport
GO:0036211 protein modification process
GO:0043687 post-translational protein modification
GO:0045116 protein neddylation
GO:0051726 regulation of cell cycle
GO:0055085 transmembrane transport
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2nvu, PDBe:2nvu, PDBj:2nvu
PDBsum2nvu
PubMed17220875
UniProtQ8TBC4|UBA3_HUMAN NEDD8-activating enzyme E1 catalytic subunit (Gene Name=UBA3)

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