Structure of PDB 8twa Chain 3 Binding Site BS01

Receptor Information

>8twa Chain 3 (length=327) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SKENLPWVEKYRPETLDEVYGQNEVITTVRKFVDEGKLPHLLFYGPPGTG
KTSTIVALAREIYGKNYSNMVLELNASDDRGIDVVRNQIKDFASTRQIFS
KGFKLIILDEADAMTNAAQNALRRVIERYTKNTRFCVLANYAHKLTPALL
SRCTRFRFQPLPQEAIERRIANVLVHEKLKLSPNAEKALIELSNGDMRRV
LNVLQSCKATLDNPDEDEISDDVIYECCGAPRPSDLKAVLKSILEDDWGT
AHYTLNKVRSAKGLALIDLIEGIVKILEDYELQNEETRVHLLTKLADIEY
SISKGGNDQIQGSAVIGAIKASFENET

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

8twa Chain 3 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	8twa Cryo-EM reveals that Ctf18-RFC collaborates with PolE to load the PCNA clamp onto a leading strand DNA
Resolution	4.1 Å
Binding residue (original residue number in PDB)	V16 Y19 R20 P21 Y28 P55 G56 T57 G58 K59 T60 S61 N148 R177 M205 R206
Binding residue (residue number reindexed from 1)	V8 Y11 R12 P13 Y20 P47 G48 T49 G50 K51 T52 S53 N140 R169 M197 R198
Annotation score	1

External links

PDB	RCSB:8twa, PDBe:8twa, PDBj:8twa
PDBsum	8twa
PubMed
UniProt	P38629\|RFC3_YEAST Replication factor C subunit 3 (Gene Name=RFC3)

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