Structure of PDB 6h2j Chain A Binding Site BS01

Receptor Information
>6h2j Chain A (length=842) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFIVLDKYIKAEPTGDSYQSESDLERELIQDLRNQGYEFISVKSQSAMLA
NVREQLQNLNGVVFNDSEWRRFTEQYLDNPSDGILDKTRKIHIDYICDFI
FDDERLENIYLIDKKNLMRNKVQIIQQFENRYDVTILVNGLPLVQIELKK
RGVAIREAFNQIHSENSLFKYLQLFVISNGTDTRYFANTTKRDKNSFDFT
MNWAKSDNTLIKDLKDFTATCFQKHTLLNVLVNYSVFDSSQTLLVMRPYQ
IAATERILWKIKSSFTAKNWSKPESGGYIWHTTGSGKTLTSFKAARLATE
LDFIDKVFFVVDRKDLDYQTMKEYQRFSPDSVNGSENTAGLKRNLDKDDN
KIIVTTIQKLNNLMKAESDLPVYNQQVVFIFDECHRSQFGEAQKNLKKKF
KRYYQFGFTGTPIFPENALGSETTASVFGRELHSYVITDAIRDEKVLKFK
VDYNDVRPQFKSLETETDEKKLSAAENQQAFLHPMRIQEITQYILNNFRQ
KTHRTFPGSKGFNAMLAVSSVDAAKAYYATFKRLQEEAANKSATYKPLRI
ATIFSFAAIGEISDETFDTSAMDSSAKEFLDAAIREYNSHFKTNFSTDSN
GFQNYYRDLAQRVKNQDIDLLIVVGMFLTGFDAPTLNTLFVDKNLRYHGL
MQAFSRTNRIYDATKTFGNIVTFRDLERSTIDAITLFGDKNTKNVVLEKS
YTEYMEGFTDAATGEAKRGFMTVVSELEQRFPDPTSIESEKEKKDFVKLF
GEYLRAENILQNYDEFATLKALQQIDLSDPVAVEKFKAEHYVDDEKFAEL
QTIRLPADRKIQDYRSAYNDIRDWQRTTDWDDVVFEVDLLKS
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6h2j Chain A Residue 1101 [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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PDB6h2j Crystal structure of a novel domain of the motor subunit of the Type I restriction enzyme EcoR124 involved in complex assembly and DNA binding.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K220 L270 R273 Q276 T309 G310 G312 K313 T314 D664 R688 R691
Binding residue
(residue number reindexed from 1)		K194 L244 R247 Q250 T283 G284 G286 K287 T288 D632 R656 R659
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.3: type I site-specific deoxyribonuclease.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004519 endonuclease activity
GO:0005524 ATP binding
GO:0009035 type I site-specific deoxyribonuclease activity
Biological Process
GO:0006304 DNA modification
GO:0009307 DNA restriction-modification system

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6h2j, PDBe:6h2j, PDBj:6h2j
PDBsum6h2j
PubMed30054276
UniProtP10486|T1R1_ECOLX Type I restriction enzyme EcoR124I/EcoR124II endonuclease subunit (Gene Name=hsdR)

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