Structure of PDB 8d9e Chain B Binding Site BS06

Receptor Information
>8d9e Chain B (length=1256) Species: 237368 (Candidatus Scalindua brodae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNITVELTFFEPYRLVEWFDWDARKKSHSAMRGQAFAQWTWKGKGRTAGK
SFITGTLVRSAVIKAVEELLSLNNGKWEGVPCCNGSFQTDESKGKKPSFL
RKRHTLQWQANNKNICDKEEACPFCILLGRFDNAGKVHERNKDYDIHFSN
FDLDHKQEKNDLRLVDIASGRILNRVDFDTGKAKDYFRTWEADYETYGTY
TGRITLRNEHAKKLLLASLGFVDKLCGALCRIEVIKKEVLSEDHNDELRK
QAEVIVEAFKQNDKLEKIRILADAIRTLRLHGEGVIEKDELPDGKEERDK
GHHLWDIKVQGTALRTKLKELWQSNKDIGWRKFTEMLGSNLYLIYKKETG
IETKEWIIVGRLKAATPFYFGVQQPSDSIPGVINEHTSFNILLDKENRYR
IPRSALRGALRRDLRTAFGSGCNVSLGGQILCNCKVCIEMRRITLKDSVS
DFSEPPEIRYRIAKNPGTATVEDGSLFDIEVGPEGLTFPFVLRYRGHKFP
EQLSSVIRYWEENDGKNGMAWLGGLDSTGKGRFALKDIKIFEWDLNQKIN
EYIKERGMRGKEKELLEMGESSLPDGLIPYKFFEERECLFPYKENLKPQW
SEVQYTIEVGSPLLTADTISALTEPGNRDAIAYKKRVYNDGNNAIEPEPR
FAVKSETHRGIFRTAVGRRTGDLGKEDHEDCTCDMCIIFGNEHESSKIRF
EDLELINGNEFEKLEKHIDHVAIDRFTGGALDKAKFDTYPLAGSPKKPLK
LKGRFWIKKGFSGDHKLLITTALSDIRDGLYPLGSKGGVGYGWVAGISID
DNVPDDFKEMINKTEAAAAAAAAAAAAAAAAAAAKNKNIYYPHYFLDSGS
KVYREKDIITHEEFTEELLSGKINCKLETLTPLIIPDTSDENGLKLQGNK
PGHKNYKFFNINGELMIPGSELRGMLRTHFEALTKSCFAIFGEDSTLSWR
RKCASKTLGGKLDKALHPCTGLSDGLCPGCHLFGTTDYKGRVKFGFAKYE
NGPEWLITRGNNPERSLTLGVLESPRPAFSIPDDESEIPGRKFYLHHNGW
RIIRQKQLEIRETVQPERNVTTEVMDKGNVFSFDVKFENLREWELGLLLQ
SLDPGKNIAHKLGKGKPYGFGSVKIKIDSLHTFKINSNNDKIKRVPQSDI
REYINKGYQKLIEWSGNNSIQKGNVLPQWHVIPHIDKLYKLLWVPFLNDS
KLEPDVRYPVLNEESKGYIEGSDYTYKKLGDKDNLPYKTRVKGLTTPWSP
WNPFQV
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 chain8d9e Chain B Residue 1704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8d9e Craspase is a CRISPR RNA-guided, RNA-activated protease.
Resolution3.76 Å
Binding residue
(original residue number in PDB)
C1018 C1406 C1414 C1417
Binding residue
(residue number reindexed from 1)
C937 C969 C977 C980
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links