Structure of PDB 7s9w Chain A Binding Site BS02

Receptor Information

>7s9w Chain A (length=1238) Species: 613 (Serratia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AWIAIDHNFSRAQVLTYYTLQLKGEHSLHQAISDNDWILVLDTTGNITRV
GRILRIRSDLETTTIFFDRMLQVKSVVSIGITPFKFPPNDRAGRIQWTDF
IETLPKELHITIADIPKIEDQTYIRELLQLAVMDDLLGPAGGPNELIVDM
GVRDRYLVGKLAPRPSSLGMTFCVDGDVDRVEIEARWGRYERVPNDEHQF
FKSNGQKAKVWKRIPCGGKIVLPLIEGSISHNAPDSTSPEVRVQGSIRAK
NDNGDRLITLFLVNAQEEPDTNRDTAWVFQPELIVRAAKDAAKPAIFRRR
PVLDADGMDPEREALEMIYRDRVEFAVGHGVAVHAEIADDVTLATEVRTT
VMPQYEVQATETPGLELSDRPAMREMVSSGLLDMQRLATLDIDPLVDALS
VLTNDYATWIDEQNLNVSSKAKGFDTQAQTAINRCQEIHTRLQEGINTLK
SNENALAAFRFANQAMATQRIRSLYALAMRRGEDVTLDKFDVLKNRSWRP
FQLAFLLLSIPSLADPCHPDRVKPIEAYADLLWFPTGGGKTEAYLGVAAF
TMAIRRMQGNLGGYDSSRGLTVIMRYTLRLLTLQQFQRATALICAMEVLR
REALNKGDKSLGTEPFTIGLWVGNKVTPGTTEDSHNAIEKTRNSPVQLTS
CPWCGTEIVPGQDVEVKKDKAGGRTFVYCGDKKGRCEFSKGKSSTQPHPG
IPVLVVDEEIYHRPPTMMIATVDKFAMMAWRGQVRTLFGRVEKECERHGL
LWPGANCTGNHQAFKGQPSAKVKAIPPIRPPDLIIQDEFHLISGPLGTMV
GLYETAVDELCSWTLNGKTVKPKIIASTATVRKAKEQVNNVFMRQVSVFP
PHGLDVEDNFFSVQRHIKDKFGRRYLGVCSPGSSRPAMLIRVYTAFLTAA
QELFDHFGEPADPYMTMVGYFNSLRELGGMKRLAEDDVQTRSYRVQMSMV
ERPALAQRSVNNIRELTSRVSSQDIPKYLDNLEVKFKAEFDSSAGKYVTK
WQEGDTRAIDVVLATNMLSVGVDVNRLGLMAVNGQPKGTAEYIQATSRVG
RSFPGLVCTVLTWARPRDLSHYETFEHYHATFYKHVEAQSVTPFSPRAMD
RGLTGSLLSLMRLKNNEFSPNEGAGKLDMSNQSELAHAIEVLATRAGNVA
EDNARKLLAENELKERADEWAKEASKGGRILGYEKRGPDKDKTVALIKSP
GLQAWDNWTVPMSMREVESGVRLIMDTKFIKDDHDWKP

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

7s9w 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	7s9w Structural basis for broad anti-phage immunity by DISARM.
Resolution	3.4 Å
Binding residue (original residue number in PDB)	R540 R569 G608 K610 T611 E612
Binding residue (residue number reindexed from 1)	R470 R499 G538 K540 T541 E542
Annotation score	4

External links

PDB	RCSB:7s9w, PDBe:7s9w, PDBj:7s9w
PDBsum	7s9w
PubMed	35624106

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