Structure of PDB 8twb Chain 2 Binding Site BS02

Receptor Information

>8twb Chain 2 (length=340) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SKLAAEQSLAQQPWVEKYRPKNLDEVTAQDHAVTVLKKTLKSANLPHMLF
YGPPGTGKTSTILALTKELYGPDLMKSRILELNASDERGISIVREKVKNF
ARLTVSKPSKHDLENYPCPPYKIIILDEADSMTADAQSALRRTMETYSGV
TRFCLICNYVTRIIDPLASRCSKFRFKALDASNAIDRLRFISEQENVKCD
DGVLERILDISAGDLRRGITLLQSASKGAQYLGDGKNITSTQVEELAGVV
PHDILIEIVEKVKSGDFDEIKKYVNTFMKSGWSAASVVNQLHEYYITNDN
FDTNFKNQISWLLFTTDSRLNNGTNEHIQLLNLLVKISQL

Ligand information

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

8twb Chain 2 Residue 401 [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	8twb Cryo-EM reveals that Ctf18-RFC collaborates with PolE to load the PCNA clamp onto a leading strand DNA
Resolution	3.2 Å
Binding residue (original residue number in PDB)	V28 R32 P33 P67 G68 T69 G70 K71 T72 S73 N171 L228 R229
Binding residue (residue number reindexed from 1)	V15 R19 P20 P54 G55 T56 G57 K58 T59 S60 N158 L215 R216
Annotation score	1

External links

PDB	RCSB:8twb, PDBe:8twb, PDBj:8twb
PDBsum	8twb
PubMed
UniProt	P40348\|RFC2_YEAST Replication factor C subunit 2 (Gene Name=RFC2)

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