Structure of PDB 6o83 Chain A Binding Site BS01

Receptor Information
>6o83 Chain A (length=954) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNVLIIGCKGLGVEIAKNVCLAGVKSVTLYDPQPTRIEDLSSQYFLTEDD
IGVPRAKVTVSKLAELNQYVPVSVVDELSTEYLKNFKCVVVTETSLTKQL
EINDFTHKNHIAYIAADSRGLFGSIFCDFGENFICTDTDGNEPLTGMIAS
ITDDGVVTMLEETRHGLENGDFVKFTEVKGMPGLNDGTPRKVEVKGPYTF
SIGSVKDLGSAGYNGVFTQVKVPTKISFKSLRESLKDPEYVYPDFGKMMR
PPQYHIAFQALSAFADAHEGSLPRPRNDIDAAEFFEFCKKIASTLQFDVE
LDEKLIKEISYQARGDLVAMSAFLGGAVAQEVLKATTSKFYPLKQYFYFD
SLESLPSSVTISEETCKPRGCRYDGQIAVFGSEFQEKIASLSTFLVGAGA
IGCEMLKNWAMMGVATGESGHISVTDMDSIEKSNLNRQFLFRPRDVGKLK
SECASTAVSIMNPSLTGKITSYQERVGPESEGIFGDEFFEKLSLVTNALD
NVEARMYVDRRCVFFEKPLLESGTLGTKGNTQVVVPHLTESYGSSQDPPE
KSFPICTLKNFPNRIEHTIAWARDLFEGLFKQPIDNVNMYLSSPNFLETS
LKTSSNPREVLENIRDYLVTEKPLSFEECIMWARLQFDKFFNNNIQQLLF
NFPKDSVTSTGQPFWSGPKRAPTPLSFDIHNREHFDFIVAAASLYAFNYG
LKSETDPAIYERVLAGYNPPPFAPDKQELKSIADSLPPPSSLVGFRLTPA
EFEKDDDSNHHIDFITAASNLRAMNYDITPADRFKTKFVAGKIVPAMCTS
TAVVSGLVCLELVKLVDGKKKIEEYKNGFFNLAIGLFTFSDPIASPKMKV
NGKEIDKIWDRYNLPDCTLQELIDYFQKEEGLEVTMLSSGVSLLYANFQP
PKKLAERLPLKISELVEQITKKKLEPFRKHLVLEICCDDANGEDVEVPFI
CIKL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6o83 Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o83 Structural basis for adenylation and thioester bond formation in the ubiquitin E1.
Resolution3.153 Å
Binding residue
(original residue number in PDB)		H305 E320
Binding residue
(residue number reindexed from 1)		H268 E283
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R474 D537 C593 T594 K596
Catalytic site (residue number reindexed from 1) R437 D500 C556 T557 K559
Enzyme Commision number 6.2.1.45: E1 ubiquitin-activating enzyme.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004839 ubiquitin activating enzyme activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008641 ubiquitin-like modifier activating enzyme activity
GO:0016874 ligase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0006974 DNA damage response
GO:0016567 protein ubiquitination
GO:0036211 protein modification process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6o83, PDBe:6o83, PDBj:6o83
PDBsum6o83
PubMed31235585
UniProtO94609|UBA1_SCHPO Ubiquitin-activating enzyme E1 1 (Gene Name=ptr3)

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