BioLiP

Receptor Information

>4l9q Chain A (length=581) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAK
TCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNEC
FLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYA
PELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCA
SLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLL
ECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPAD
LPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAK
TYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEY
KFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAED
YLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKE
FNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDF
AAFVEKCCKADDKETCFAEEGKKLVAASQAA

Ligand ID

9TP

InChI

InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1

InChIKey

NRUKOCRGYNPUPR-QBPJDGROSA-N

SMILES

Software	SMILES
CACTVS 3.385	COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@H]4O)c6sccc6)c7cc8OCOc8cc27
OpenEye OEToolkits 1.7.6	COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4
CACTVS 3.385	COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](O[CH]4O[CH]5CO[CH](O[CH]5[CH](O)[CH]4O)c6sccc6)c7cc8OCOc8cc27
OpenEye OEToolkits 1.7.6	COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4
ACDLabs 12.01	O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7

Formula

C32 H32 O13 S

Name

(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside;
Teniposide

PDB chain

4l9q Chain A Residue 601 [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	4l9q Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	R117 F134 K137 Y138 I142 H146 L182 R186 G189 K190
Binding residue (residue number reindexed from 1)	R116 F133 K136 Y137 I141 H145 L181 R185 G188 K189
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003677	DNA binding
GO:0005504	fatty acid binding
GO:0005507	copper ion binding
GO:0005515	protein binding
GO:0008289	lipid binding
GO:0015643	toxic substance binding
GO:0016209	antioxidant activity
GO:0019825	oxygen binding
GO:0030170	pyridoxal phosphate binding
GO:0042802	identical protein binding
GO:0046872	metal ion binding
GO:0051087	protein-folding chaperone binding
GO:0140272	exogenous protein binding
GO:1903981	enterobactin binding

	Biological Process
GO:0009267	cellular response to starvation
GO:0051902	negative regulation of mitochondrial depolarization
GO:0072732	cellular response to calcium ion starvation
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005783	endoplasmic reticulum
GO:0005788	endoplasmic reticulum lumen
GO:0005794	Golgi apparatus
GO:0031093	platelet alpha granule lumen
GO:0032991	protein-containing complex
GO:0070062	extracellular exosome
GO:0072562	blood microparticle

PDB	RCSB:4l9q, PDBe:4l9q, PDBj:4l9q
PDBsum	4l9q
PubMed	23838380
UniProt	P02768\|ALBU_HUMAN Albumin (Gene Name=ALB)

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Structure of PDB 4l9q Chain A Binding Site BS01