Structure of PDB 9c57 Chain G Binding Site BS01

Receptor Information

>9c57 Chain G (length=878) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HQRIAELRKAGLWSQRRLPKLQEAPRPKSHWDYLLEEMQWMATDFAQERR
WKVAAAKKLVRTVVRHHEEKQLREERGKKEEQSRLRRIAASTAREIECFW
SNIEQVVEIKLRVELEEKRKKALNLQKIADVTAVAEAILPKGSARVTTSV
KFNAPSLLYGALRDYQKIGLDWLAKLYRKNLNGILADEAGLGKTVQIIAF
FAHLACNEGNWGLVVVRSCNILKWELELKRWCPGLKILSYIGSHRELKAK
RQEWAEPNSFHVCITSYTQFFRGLTAFTRVRWKCLVIDEMQRVKGMTERH
WEAVFTLQSQQRLLLIDSPRDVEKQLTKKYEHVLKCRLSNRQKALYEDVI
LQPGTQEALKSGHFVNVLSILVRLQRICNHPGLVEPRHPGSSYVAGPLEY
PSASLILKALERDFWKEADLSMFDLIGLENKITRHEAELLSKKKIPRKLM
EEISTSAAPAARPAAAKLKASRLFQPVQYGQKPEGRTVAQEEKTRLLKER
LDQIYLVNERRCSQAPVYGRDLLRICALPESPSELMLTLCRCGESLQDVI
DRVAFVIPPVVAAPPSLRVPRPPPLYSHRMRILRQGLREHAAPYFQQLRQ
TTAPRLLQFPELRLVQFDSGKLEALAILLQKLKSEGRRVLILSQMILMLD
ILEMFLNFHYLTYVRIDENASSEQRQELMRSFNRDRRIFCAILSTHSRTT
GINLVEADTVVFYDNDLNPVMDAKAQEWCDRIGRCKDIHIYRLVSGNSIE
EKLLKNGTKDLEELADFMEQLTPIEKYALNYLELFHTSIEQEKERNSEDA
VMTAVRAWEFWNLKTLQEREARLRLEQEEAELLTYTREDAYSMEYVYEDQ
TEVMPLWTPPTPPQDDSDIYLDSVMCLM

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

9c57 Chain G Residue 3201 [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	9c57 Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Resolution	2.75 Å
Binding residue (original residue number in PDB)	R1092 G1121 K1122 T1123 K1154 E1158 W1162 R2012
Binding residue (residue number reindexed from 1)	R163 G192 K193 T194 K223 E227 W231 R734
Annotation score	1

External links

PDB	RCSB:9c57, PDBe:9c57, PDBj:9c57
PDBsum	9c57
PubMed	39088653
UniProt	Q96L91\|EP400_HUMAN E1A-binding protein p400 (Gene Name=EP400)

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