Structure of PDB 1rml Chain A Binding Site BS01

Receptor Information

>1rml Chain A (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KPKLLYCSNGGHFLRILPDGTVDGTRDRSDQHIQLQLSAESVGEVYIKST
ETGQYLAMDTDGLLYGSQTPNEECLFLERLEENHYNTYISKKHAEKNWFV
GLKKNGSCKRGPRTHYGQKAILFLPLPVSSD

Ligand information

Ligand ID

NTS

InChI

InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3

InChIKey

ZPBSAMLXSQCSOX-UHFFFAOYSA-K

SMILES

Software	SMILES
CACTVS 3.341	[O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-])(=O)=O)[S]([O-])(=O)=O
ACDLabs 10.04	[O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O
OpenEye OEToolkits 1.5.0	c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]

Formula

C10 H5 O9 S3

Name

NAPHTHALENE TRISULFONATE

PDB chain

1rml Chain A Residue 178 [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	1rml Solution structure of acidic fibroblast growth factor bound to 1,3, 6-naphthalenetrisulfonate: a minimal model for the anti-tumoral action of suramins and suradistas.
Resolution	N/A
Binding residue (original residue number in PDB)	K126 K127 T137 H138 Y139 Q141 A143 I144
Binding residue (residue number reindexed from 1)	K103 K104 T114 H115 Y116 Q118 A120 I121
Annotation score	1
Binding affinity	BindingDB: Kd=474000nM

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005104	fibroblast growth factor receptor binding
GO:0005178	integrin binding
GO:0005515	protein binding
GO:0008083	growth factor activity
GO:0008201	heparin binding
GO:0030544	Hsp70 protein binding
GO:0044548	S100 protein binding

	Biological Process
GO:0001525	angiogenesis
GO:0001759	organ induction
GO:0007165	signal transduction
GO:0008284	positive regulation of cell population proliferation
GO:0008543	fibroblast growth factor receptor signaling pathway
GO:0009653	anatomical structure morphogenesis
GO:0009887	animal organ morphogenesis
GO:0010595	positive regulation of endothelial cell migration
GO:0010628	positive regulation of gene expression
GO:0030154	cell differentiation
GO:0030324	lung development
GO:0030334	regulation of cell migration
GO:0030335	positive regulation of cell migration
GO:0032148	activation of protein kinase B activity
GO:0034605	cellular response to heat
GO:0042060	wound healing
GO:0043406	positive regulation of MAP kinase activity
GO:0045542	positive regulation of cholesterol biosynthetic process
GO:0045766	positive regulation of angiogenesis
GO:0045944	positive regulation of transcription by RNA polymerase II
GO:0050673	epithelial cell proliferation
GO:0050679	positive regulation of epithelial cell proliferation
GO:0051781	positive regulation of cell division
GO:0060681	branch elongation involved in ureteric bud branching
GO:0070374	positive regulation of ERK1 and ERK2 cascade
GO:0072163	mesonephric epithelium development
GO:1901509	regulation of endothelial tube morphogenesis
GO:1902533	positive regulation of intracellular signal transduction
GO:1903672	positive regulation of sprouting angiogenesis
GO:2000347	positive regulation of hepatocyte proliferation
GO:2000544	regulation of endothelial cell chemotaxis to fibroblast growth factor

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005938	cell cortex
GO:0031012	extracellular matrix

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:1rml, PDBe:1rml, PDBj:1rml
PDBsum	1rml
PubMed	9719643
UniProt	P05230\|FGF1_HUMAN Fibroblast growth factor 1 (Gene Name=FGF1)

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