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Receptor Information

>5oea Chain B (length=409) Species: 749413 (Deep-sea thermophilic phage D6E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FYFQPFSKKQLKVLTWWRKASPVSDKDGIICDGSIRAGKTIVMSFSYVMW
AMDTFNEQNFGMAGKTIGALRRNVITPLKRMLKSRGYRVKDHRADNYLTI
TFKGKTNYFYLFGGKDESSQDLIQGITLAGMFFDEVALMPESFVNQATAR
CSVDGAKLWFNCNPAGPYHWFKVEYLDKLDEKNLLHLHFTMDDNLSLSKQ
VKERYQRMYKGVFYQRYILGLWVLAEGIIYDMFDQDEHVVPTVPRPYEKY
YVSCDYGTQNPTTFGLWGLYNGVWYKVKEYHYDGRKENKQKTDQEYYEDL
MKFIEDIEKHKFKGVIVDPSAASFIALLRQKGIKVIKAKNDVLDGIRNVA
TALNKKMILYNDCCKETFREYSSYVWDEKAAERGEDKPVKQNDHQLDADR
YFVNTILFG

Ligand ID

AGS

InChI

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

5oea Chain B Residue 501 [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	5oea Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Resolution	3.0 Å
Binding residue (original residue number in PDB)	Q12 Q18 I43 R44 A45 G46 K47 T48 I49 N171 N202 S204
Binding residue (residue number reindexed from 1)	Q4 Q10 I35 R36 A37 G38 K39 T40 I41 N163 N194 S196
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding
GO:0046872	metal ion binding

PDB	RCSB:5oea, PDBe:5oea, PDBj:5oea
PDBsum	5oea
PubMed	29069443
UniProt	E5DV50

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Structure of PDB 5oea Chain B Binding Site BS01