Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6H9B

1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000226	biological_process	microtubule cytoskeleton organization
A	0000278	biological_process	mitotic cell cycle
A	0000793	cellular_component	condensed chromosome
A	0001764	biological_process	neuron migration
A	0001964	biological_process	startle response
A	0005200	molecular_function	structural constituent of cytoskeleton
A	0005525	molecular_function	GTP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005856	cellular_component	cytoskeleton
A	0005874	cellular_component	microtubule
A	0005879	cellular_component	axonemal microtubule
A	0005881	cellular_component	cytoplasmic microtubule
A	0005886	cellular_component	plasma membrane
A	0006886	biological_process	intracellular protein transport
A	0007017	biological_process	microtubule-based process
A	0007098	biological_process	centrosome cycle
A	0007224	biological_process	smoothened signaling pathway
A	0007613	biological_process	memory
A	0007626	biological_process	locomotory behavior
A	0008344	biological_process	adult locomotory behavior
A	0008542	biological_process	visual learning
A	0009612	biological_process	response to mechanical stimulus
A	0010001	biological_process	glial cell differentiation
A	0010467	biological_process	gene expression
A	0015630	cellular_component	microtubule cytoskeleton
A	0016787	molecular_function	hydrolase activity
A	0021542	biological_process	dentate gyrus development
A	0021696	biological_process	cerebellar cortex morphogenesis
A	0021766	biological_process	hippocampus development
A	0021859	biological_process	pyramidal neuron differentiation
A	0021987	biological_process	cerebral cortex development
A	0022008	biological_process	neurogenesis
A	0030182	biological_process	neuron differentiation
A	0030534	biological_process	adult behavior
A	0031594	cellular_component	neuromuscular junction
A	0034612	biological_process	response to tumor necrosis factor
A	0035641	biological_process	locomotory exploration behavior
A	0036464	cellular_component	cytoplasmic ribonucleoprotein granule
A	0042802	molecular_function	identical protein binding
A	0044877	molecular_function	protein-containing complex binding
A	0045202	cellular_component	synapse
A	0046785	biological_process	microtubule polymerization
A	0046872	molecular_function	metal ion binding
A	0046982	molecular_function	protein heterodimerization activity
A	0048853	biological_process	forebrain morphogenesis
A	0048873	biological_process	homeostasis of number of cells within a tissue
A	0050807	biological_process	regulation of synapse organization
A	0050808	biological_process	synapse organization
A	0051402	biological_process	neuron apoptotic process
A	0055037	cellular_component	recycling endosome
A	0061744	biological_process	motor behavior
A	0071277	biological_process	cellular response to calcium ion
A	0072384	biological_process	organelle transport along microtubule
A	0140058	biological_process	neuron projection arborization
A	1902065	biological_process	response to L-glutamate
B	0000226	biological_process	microtubule cytoskeleton organization
B	0000278	biological_process	mitotic cell cycle
B	0003924	molecular_function	GTPase activity
B	0005200	molecular_function	structural constituent of cytoskeleton
B	0005525	molecular_function	GTP binding
B	0005737	cellular_component	cytoplasm
B	0005856	cellular_component	cytoskeleton
B	0005874	cellular_component	microtubule
B	0007017	biological_process	microtubule-based process
B	0046872	molecular_function	metal ion binding
C	0000226	biological_process	microtubule cytoskeleton organization
C	0000278	biological_process	mitotic cell cycle
C	0000793	cellular_component	condensed chromosome
C	0001764	biological_process	neuron migration
C	0001964	biological_process	startle response
C	0005200	molecular_function	structural constituent of cytoskeleton
C	0005525	molecular_function	GTP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005856	cellular_component	cytoskeleton
C	0005874	cellular_component	microtubule
C	0005879	cellular_component	axonemal microtubule
C	0005881	cellular_component	cytoplasmic microtubule
C	0005886	cellular_component	plasma membrane
C	0006886	biological_process	intracellular protein transport
C	0007017	biological_process	microtubule-based process
C	0007098	biological_process	centrosome cycle
C	0007224	biological_process	smoothened signaling pathway
C	0007613	biological_process	memory
C	0007626	biological_process	locomotory behavior
C	0008344	biological_process	adult locomotory behavior
C	0008542	biological_process	visual learning
C	0009612	biological_process	response to mechanical stimulus
C	0010001	biological_process	glial cell differentiation
C	0010467	biological_process	gene expression
C	0015630	cellular_component	microtubule cytoskeleton
C	0016787	molecular_function	hydrolase activity
C	0021542	biological_process	dentate gyrus development
C	0021696	biological_process	cerebellar cortex morphogenesis
C	0021766	biological_process	hippocampus development
C	0021859	biological_process	pyramidal neuron differentiation
C	0021987	biological_process	cerebral cortex development
C	0022008	biological_process	neurogenesis
C	0030182	biological_process	neuron differentiation
C	0030534	biological_process	adult behavior
C	0031594	cellular_component	neuromuscular junction
C	0034612	biological_process	response to tumor necrosis factor
C	0035641	biological_process	locomotory exploration behavior
C	0036464	cellular_component	cytoplasmic ribonucleoprotein granule
C	0042802	molecular_function	identical protein binding
C	0044877	molecular_function	protein-containing complex binding
C	0045202	cellular_component	synapse
C	0046785	biological_process	microtubule polymerization
C	0046872	molecular_function	metal ion binding
C	0046982	molecular_function	protein heterodimerization activity
C	0048853	biological_process	forebrain morphogenesis
C	0048873	biological_process	homeostasis of number of cells within a tissue
C	0050807	biological_process	regulation of synapse organization
C	0050808	biological_process	synapse organization
C	0051402	biological_process	neuron apoptotic process
C	0055037	cellular_component	recycling endosome
C	0061744	biological_process	motor behavior
C	0071277	biological_process	cellular response to calcium ion
C	0072384	biological_process	organelle transport along microtubule
C	0140058	biological_process	neuron projection arborization
C	1902065	biological_process	response to L-glutamate
D	0000226	biological_process	microtubule cytoskeleton organization
D	0000278	biological_process	mitotic cell cycle
D	0003924	molecular_function	GTPase activity
D	0005200	molecular_function	structural constituent of cytoskeleton
D	0005525	molecular_function	GTP binding
D	0005737	cellular_component	cytoplasm
D	0005856	cellular_component	cytoskeleton
D	0005874	cellular_component	microtubule
D	0007017	biological_process	microtubule-based process
D	0046872	molecular_function	metal ion binding
E	0031110	biological_process	regulation of microtubule polymerization or depolymerization

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	binding site for residue SO4 A 501

Chain	Residue
A	PRO175
A	LYS394
B	ASN349

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 502

Chain	Residue
A	VAL177
A	ARG221
A	TYR224
A	HOH612
B	GLN247

site_id	AC3
Number of Residues	27
Details	binding site for residue GTP A 503

Chain	Residue
A	GLN11
A	ALA12
A	GLN15
A	ASP69
A	ASP98
A	ALA99
A	ALA100
A	ASN101
A	SER140
A	GLY143
A	GLY144
A	THR145
A	GLY146
A	VAL177
A	THR179
A	GLU183
A	ASN206
A	TYR224
A	ASN228
A	ILE231
A	MG504
A	HOH602
A	HOH603
A	HOH609
A	HOH611
B	LYS254
A	GLY10

site_id	AC4
Number of Residues	3
Details	binding site for residue MG A 504

Chain	Residue
A	GTP503
A	HOH605
A	HOH609

site_id	AC5
Number of Residues	3
Details	binding site for residue SO4 B 501

Chain	Residue
B	THR223
B	GLY225
B	ARG278

site_id	AC6
Number of Residues	4
Details	binding site for residue SO4 B 502

Chain	Residue
B	LEU219
B	THR220
B	THR221
C	LYS326

site_id	AC7
Number of Residues	4
Details	binding site for residue SO4 B 503

Chain	Residue
B	PRO274
B	LEU275
B	LEU286
B	ASN300

site_id	AC8
Number of Residues	18
Details	binding site for residue GDP B 504

Chain	Residue
B	GLY10
B	GLN11
B	CYS12
B	GLN15
B	SER140
B	GLY143
B	GLY144
B	THR145
B	GLY146
B	PRO173
B	VAL177
B	ASP179
B	GLU183
B	ASN206
B	TYR224
B	ASN228
B	HOH602
B	HOH611

site_id	AC9
Number of Residues	14
Details	binding site for residue FWH B 505

Chain	Residue
A	THR179
A	ALA180
A	VAL181
B	CYS241
B	LEU255
B	ASN258
B	MET259
B	VAL315
B	ALA316
B	THR317
B	ASN349
B	ASN350
B	LYS352
B	ALA354

site_id	AD1
Number of Residues	3
Details	binding site for residue SO4 C 501

Chain	Residue
C	PRO175
C	GLU207
C	LYS394

site_id	AD2
Number of Residues	24
Details	binding site for residue GTP C 502

Chain	Residue
C	ASN206
C	TYR224
C	ASN228
C	ILE231
C	MG503
C	HOH602
C	HOH603
C	HOH607
C	HOH608
C	GLY10
C	GLN11
C	ALA12
C	GLN15
C	ASP98
C	ALA99
C	ASN101
C	SER140
C	GLY143
C	GLY144
C	THR145
C	GLY146
C	VAL177
C	THR179
C	GLU183

site_id	AD3
Number of Residues	5
Details	binding site for residue MG C 503

Chain	Residue
C	GLN11
C	GTP502
C	HOH602
C	HOH603
C	HOH608

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 C 504

Chain	Residue
C	ASP211
C	ARG215
C	LYS304

site_id	AD5
Number of Residues	2
Details	binding site for residue SO4 D 501

Chain	Residue
D	LYS19
D	HIS229

site_id	AD6
Number of Residues	5
Details	binding site for residue SO4 D 502

Chain	Residue
D	ALA273
D	PRO274
D	LEU275
D	GLN294
D	ASN300

site_id	AD7
Number of Residues	5
Details	binding site for residue SO4 D 503

Chain	Residue
D	THR223
D	GLY225
D	ARG278
D	PHE404
D	HIS406

site_id	AD8
Number of Residues	18
Details	binding site for residue GDP D 504

Chain	Residue
D	GLY10
D	GLN11
D	CYS12
D	GLN15
D	SER140
D	GLY143
D	GLY144
D	THR145
D	GLY146
D	PRO173
D	VAL177
D	GLU183
D	ASN206
D	TYR224
D	ASN228
D	HOH602
D	HOH605
D	HOH620

site_id	AD9
Number of Residues	16
Details	binding site for residue FWH D 505

Chain	Residue
C	THR179
C	ALA180
C	VAL181
D	CYS241
D	ALA250
D	LEU255
D	ASN258
D	MET259
D	VAL315
D	ALA316
D	THR317
D	ILE318
D	ASN349
D	ASN350
D	LYS352
D	ALA354

site_id	AE1
Number of Residues	3
Details	binding site for residue SO4 E 201

Chain	Residue
E	HIS115
E	ALA118
E	ARG122

Functional Information from PROSITE/UniProt

site_id	PS00227
Number of Residues	7
Details	TUBULIN Tubulin subunits alpha, beta, and gamma signature. GGGTGSG

Chain	Residue	Details
B	GLY142-GLY148
A	GLY142-GLY148

site_id	PS00228
Number of Residues	4
Details	TUBULIN_B_AUTOREG Tubulin-beta mRNA autoregulation signal. MREI

Chain	Residue	Details
B	MET1-ILE4

site_id	PS00563
Number of Residues	10
Details	STATHMIN_1 Stathmin family signature 1. PRRRDpSLEE

Chain	Residue	Details
E	PRO40-GLU49

site_id	PS01041
Number of Residues	10
Details	STATHMIN_2 Stathmin family signature 2. AEKREHEREV

Chain	Residue	Details
E	ALA73-VAL82

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:22673903

Chain	Residue	Details
E	SER19

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)