Structure of PDB 8twb Chain 4 Binding Site BS01

Receptor Information

>8twb Chain 4 (length=319) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLSLQLPWVEKYRPQVLSDIVGNKETIDRLQQIAKDGNMPHMIISGMPGI
GKTTSVHCLAHELLGRSYADGVLELNASDDRGIDVVRNQIKHFAQKKLHL
PPGKHKIVILDEADSMTAGAQQALRRTMELYSNSTRFAFACNQSNKIIEP
LQSRCAILRYSKLSDEDVLKRLLQIIKLEDVKYTNDGLEAIIFTAEGDMR
QAINNLQSTVAGHGLVNADNVFKIVDSPHPLIVKKMLLASNLEDSIQILR
TDLWKKGYSSIDIVTTSFRVTKNLAQVKESVRLEMIKEIGLTHMRILEGV
GTYLQLASMLAKIHKLNNK

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 4 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)	V12 R16 P17 V24 P51 G52 I53 G54 K55 T56 T57 N145 M202 R203
Binding residue (residue number reindexed from 1)	V9 R13 P14 V21 P48 G49 I50 G51 K52 T53 T54 N142 M199 R200
Annotation score	1

External links

PDB	RCSB:8twb, PDBe:8twb, PDBj:8twb
PDBsum	8twb
PubMed
UniProt	P40339\|RFC4_YEAST Replication factor C subunit 4 (Gene Name=RFC4)

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