Structure of PDB 7s9v Chain A Binding Site BS01

Receptor Information

>7s9v Chain A (length=1296) Species: 613 (Serratia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AWIAIDHNFSRAQVLTYYTLQLKGEHSLHQAISDNDWILVLDTTGNITRV
GRILRIRSDLETTTIFFDRMLQVKSVVSIGITPFKFPPNDRAGRIQWTDF
IETLPKELHITIADIPKIEDQTYIRELLQLAVMDDLLGPAGGPNELIVDM
GVRDRYLVGKLAPREAAERGQEFPIDAEDIEDEEPDLIVKAKTAKVNSPS
VLGSGETDTAEEIDAASNQSLVPSSLGMTFCVDGDVDRVEIEARWGRYER
VPNDEHQFFKSNGQKAKVWKRIPCGGKIVLPLIEGSISHNAPDSTSPEVR
VQGSIRAKNDNGDRLITLFLVNAQEEPDTNRDTAWVFQPELIVRAAKDAA
KPAIFRRRPVLDADGMDPEREALEMIYRDRVEFAVGHGVAVHAEIADDVT
LATEVRTTVMPQYEVQATETPGLELSDRPAMREMVSSGLLDMQRLATLDI
DPLVDALSVLTNDYATWIDEQNLNVSSKAKGFDTQAQTAINRCQEIHTRL
QEGINTLKSNENALAAFRFANQAMATQRIRSLYALAMRRGEDVTLDKFDV
LKNRSWRPFQLAFLLLSIPSLADPCHPDRVKPIEAYADLLWFPTGGGKTE
AYLGVAAFTMAIRRMQGNLGGYDSSRGLTVIMRYTLRLLTLQQFQRATAL
ICAMEVLRREALNKGDKSLGTEPFTIGLWVGNKVTPGTTEDSHNAIEKTR
NSPVQLTSCPWCGTEIVPGQDVEVKKDKAGGRTFVYCGDKKGRCEFSKGK
SSTQPHPGIPVLVVDEEIYHRPPTMMIATVDKFAMMAWRGQVRTLFGRVE
KECERHGLLWPGANCTGNHQAFKGQPSAKVKAIPPIRPPDLIIQDEFHLI
SGPLGTMVGLYETAVDELCSWTLNGKTVKPKIIASTATVRKAKEQVNNVF
MRQVSVFPPHGLDVEDNFFSVQRHIKDKFGRRYLGVCSPGSSRPAMLIRV
YTAFLTAAQELFDHFGEPADPYMTMVGYFNSLRELGGMKRLAEDDVQTRS
YRVQMSMVERPALAQRSVNNIRELTSRVSSQDIPKYLDNLEVKFKAEFDS
SAGKYVTKWQEGDTRAIDVVLATNMLSVGVDVNRLGLMAVNGQPKGTAEY
IQATSRVGRSFPGLVCTVLTWARPRDLSHYETFEHYHATFYKHVEAQSVT
PFSPRAMDRGLTGSLLSLMRLKNNEFSPNEGAGKLDMSNQSELAHAIEVL
ATRAGNVAEDNARKLLAENELKERADEWAKEASKGGRILGYEKRGPDKDK
TVALIKSPGLQAWDNWTVPMSMREVESGVRLIMDTKFIKDDHDWKP

Ligand information

Ligand ID

ADP

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

7s9v Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7s9v Structural basis for broad anti-phage immunity by DISARM.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	R540 R569 G608 G609 K610 T611 E612
Binding residue (residue number reindexed from 1)	R528 R557 G596 G597 K598 T599 E600
Annotation score	4

External links

PDB	RCSB:7s9v, PDBe:7s9v, PDBj:7s9v
PDBsum	7s9v
PubMed	35624106

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