6B0T

Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001725	cellular_component	stress fiber
A	0001726	cellular_component	ruffle
A	0002102	cellular_component	podosome
A	0003723	molecular_function	RNA binding
A	0003779	molecular_function	actin binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005856	cellular_component	cytoskeleton
A	0005902	cellular_component	microvillus
A	0005911	cellular_component	cell-cell junction
A	0005938	cellular_component	cell cortex
A	0007015	biological_process	actin filament organization
A	0007043	biological_process	cell-cell junction assembly
A	0007163	biological_process	establishment or maintenance of cell polarity
A	0008144	molecular_function	obsolete drug binding
A	0010592	biological_process	positive regulation of lamellipodium assembly
A	0015629	cellular_component	actin cytoskeleton
A	0016477	biological_process	cell migration
A	0030027	cellular_component	lamellipodium
A	0030035	biological_process	microspike assembly
A	0030036	biological_process	actin cytoskeleton organization
A	0030046	biological_process	parallel actin filament bundle assembly
A	0030175	cellular_component	filopodium
A	0030426	cellular_component	growth cone
A	0030674	molecular_function	protein-macromolecule adaptor activity
A	0031252	cellular_component	cell leading edge
A	0031253	cellular_component	cell projection membrane
A	0032534	biological_process	regulation of microvillus assembly
A	0032956	biological_process	regulation of actin cytoskeleton organization
A	0035089	biological_process	establishment of apical/basal cell polarity
A	0042995	cellular_component	cell projection
A	0044393	cellular_component	microspike
A	0045296	molecular_function	cadherin binding
A	0048870	biological_process	cell motility
A	0051015	molecular_function	actin filament binding
A	0051017	biological_process	actin filament bundle assembly
A	0051491	biological_process	positive regulation of filopodium assembly
A	0070062	cellular_component	extracellular exosome
A	0070161	cellular_component	anchoring junction
A	0071803	biological_process	positive regulation of podosome assembly
A	0090091	biological_process	positive regulation of extracellular matrix disassembly
B	0001725	cellular_component	stress fiber
B	0001726	cellular_component	ruffle
B	0002102	cellular_component	podosome
B	0003723	molecular_function	RNA binding
B	0003779	molecular_function	actin binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005856	cellular_component	cytoskeleton
B	0005902	cellular_component	microvillus
B	0005911	cellular_component	cell-cell junction
B	0005938	cellular_component	cell cortex
B	0007015	biological_process	actin filament organization
B	0007043	biological_process	cell-cell junction assembly
B	0007163	biological_process	establishment or maintenance of cell polarity
B	0008144	molecular_function	obsolete drug binding
B	0010592	biological_process	positive regulation of lamellipodium assembly
B	0015629	cellular_component	actin cytoskeleton
B	0016477	biological_process	cell migration
B	0030027	cellular_component	lamellipodium
B	0030035	biological_process	microspike assembly
B	0030036	biological_process	actin cytoskeleton organization
B	0030046	biological_process	parallel actin filament bundle assembly
B	0030175	cellular_component	filopodium
B	0030426	cellular_component	growth cone
B	0030674	molecular_function	protein-macromolecule adaptor activity
B	0031252	cellular_component	cell leading edge
B	0031253	cellular_component	cell projection membrane
B	0032534	biological_process	regulation of microvillus assembly
B	0032956	biological_process	regulation of actin cytoskeleton organization
B	0035089	biological_process	establishment of apical/basal cell polarity
B	0042995	cellular_component	cell projection
B	0044393	cellular_component	microspike
B	0045296	molecular_function	cadherin binding
B	0048870	biological_process	cell motility
B	0051015	molecular_function	actin filament binding
B	0051017	biological_process	actin filament bundle assembly
B	0051491	biological_process	positive regulation of filopodium assembly
B	0070062	cellular_component	extracellular exosome
B	0070161	cellular_component	anchoring junction
B	0071803	biological_process	positive regulation of podosome assembly
B	0090091	biological_process	positive regulation of extracellular matrix disassembly
C	0001725	cellular_component	stress fiber
C	0001726	cellular_component	ruffle
C	0002102	cellular_component	podosome
C	0003723	molecular_function	RNA binding
C	0003779	molecular_function	actin binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005856	cellular_component	cytoskeleton
C	0005902	cellular_component	microvillus
C	0005911	cellular_component	cell-cell junction
C	0005938	cellular_component	cell cortex
C	0007015	biological_process	actin filament organization
C	0007043	biological_process	cell-cell junction assembly
C	0007163	biological_process	establishment or maintenance of cell polarity
C	0008144	molecular_function	obsolete drug binding
C	0010592	biological_process	positive regulation of lamellipodium assembly
C	0015629	cellular_component	actin cytoskeleton
C	0016477	biological_process	cell migration
C	0030027	cellular_component	lamellipodium
C	0030035	biological_process	microspike assembly
C	0030036	biological_process	actin cytoskeleton organization
C	0030046	biological_process	parallel actin filament bundle assembly
C	0030175	cellular_component	filopodium
C	0030426	cellular_component	growth cone
C	0030674	molecular_function	protein-macromolecule adaptor activity
C	0031252	cellular_component	cell leading edge
C	0031253	cellular_component	cell projection membrane
C	0032534	biological_process	regulation of microvillus assembly
C	0032956	biological_process	regulation of actin cytoskeleton organization
C	0035089	biological_process	establishment of apical/basal cell polarity
C	0042995	cellular_component	cell projection
C	0044393	cellular_component	microspike
C	0045296	molecular_function	cadherin binding
C	0048870	biological_process	cell motility
C	0051015	molecular_function	actin filament binding
C	0051017	biological_process	actin filament bundle assembly
C	0051491	biological_process	positive regulation of filopodium assembly
C	0070062	cellular_component	extracellular exosome
C	0070161	cellular_component	anchoring junction
C	0071803	biological_process	positive regulation of podosome assembly
C	0090091	biological_process	positive regulation of extracellular matrix disassembly
D	0001725	cellular_component	stress fiber
D	0001726	cellular_component	ruffle
D	0002102	cellular_component	podosome
D	0003723	molecular_function	RNA binding
D	0003779	molecular_function	actin binding
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005856	cellular_component	cytoskeleton
D	0005902	cellular_component	microvillus
D	0005911	cellular_component	cell-cell junction
D	0005938	cellular_component	cell cortex
D	0007015	biological_process	actin filament organization
D	0007043	biological_process	cell-cell junction assembly
D	0007163	biological_process	establishment or maintenance of cell polarity
D	0008144	molecular_function	obsolete drug binding
D	0010592	biological_process	positive regulation of lamellipodium assembly
D	0015629	cellular_component	actin cytoskeleton
D	0016477	biological_process	cell migration
D	0030027	cellular_component	lamellipodium
D	0030035	biological_process	microspike assembly
D	0030036	biological_process	actin cytoskeleton organization
D	0030046	biological_process	parallel actin filament bundle assembly
D	0030175	cellular_component	filopodium
D	0030426	cellular_component	growth cone
D	0030674	molecular_function	protein-macromolecule adaptor activity
D	0031252	cellular_component	cell leading edge
D	0031253	cellular_component	cell projection membrane
D	0032534	biological_process	regulation of microvillus assembly
D	0032956	biological_process	regulation of actin cytoskeleton organization
D	0035089	biological_process	establishment of apical/basal cell polarity
D	0042995	cellular_component	cell projection
D	0044393	cellular_component	microspike
D	0045296	molecular_function	cadherin binding
D	0048870	biological_process	cell motility
D	0051015	molecular_function	actin filament binding
D	0051017	biological_process	actin filament bundle assembly
D	0051491	biological_process	positive regulation of filopodium assembly
D	0070062	cellular_component	extracellular exosome
D	0070161	cellular_component	anchoring junction
D	0071803	biological_process	positive regulation of podosome assembly
D	0090091	biological_process	positive regulation of extracellular matrix disassembly
E	0001725	cellular_component	stress fiber
E	0001726	cellular_component	ruffle
E	0002102	cellular_component	podosome
E	0003723	molecular_function	RNA binding
E	0003779	molecular_function	actin binding
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0005856	cellular_component	cytoskeleton
E	0005902	cellular_component	microvillus
E	0005911	cellular_component	cell-cell junction
E	0005938	cellular_component	cell cortex
E	0007015	biological_process	actin filament organization
E	0007043	biological_process	cell-cell junction assembly
E	0007163	biological_process	establishment or maintenance of cell polarity
E	0008144	molecular_function	obsolete drug binding
E	0010592	biological_process	positive regulation of lamellipodium assembly
E	0015629	cellular_component	actin cytoskeleton
E	0016477	biological_process	cell migration
E	0030027	cellular_component	lamellipodium
E	0030035	biological_process	microspike assembly
E	0030036	biological_process	actin cytoskeleton organization
E	0030046	biological_process	parallel actin filament bundle assembly
E	0030175	cellular_component	filopodium
E	0030426	cellular_component	growth cone
E	0030674	molecular_function	protein-macromolecule adaptor activity
E	0031252	cellular_component	cell leading edge
E	0031253	cellular_component	cell projection membrane
E	0032534	biological_process	regulation of microvillus assembly
E	0032956	biological_process	regulation of actin cytoskeleton organization
E	0035089	biological_process	establishment of apical/basal cell polarity
E	0042995	cellular_component	cell projection
E	0044393	cellular_component	microspike
E	0045296	molecular_function	cadherin binding
E	0048870	biological_process	cell motility
E	0051015	molecular_function	actin filament binding
E	0051017	biological_process	actin filament bundle assembly
E	0051491	biological_process	positive regulation of filopodium assembly
E	0070062	cellular_component	extracellular exosome
E	0070161	cellular_component	anchoring junction
E	0071803	biological_process	positive regulation of podosome assembly
E	0090091	biological_process	positive regulation of extracellular matrix disassembly
F	0001725	cellular_component	stress fiber
F	0001726	cellular_component	ruffle
F	0002102	cellular_component	podosome
F	0003723	molecular_function	RNA binding
F	0003779	molecular_function	actin binding
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0005856	cellular_component	cytoskeleton
F	0005902	cellular_component	microvillus
F	0005911	cellular_component	cell-cell junction
F	0005938	cellular_component	cell cortex
F	0007015	biological_process	actin filament organization
F	0007043	biological_process	cell-cell junction assembly
F	0007163	biological_process	establishment or maintenance of cell polarity
F	0008144	molecular_function	obsolete drug binding
F	0010592	biological_process	positive regulation of lamellipodium assembly
F	0015629	cellular_component	actin cytoskeleton
F	0016477	biological_process	cell migration
F	0030027	cellular_component	lamellipodium
F	0030035	biological_process	microspike assembly
F	0030036	biological_process	actin cytoskeleton organization
F	0030046	biological_process	parallel actin filament bundle assembly
F	0030175	cellular_component	filopodium
F	0030426	cellular_component	growth cone
F	0030674	molecular_function	protein-macromolecule adaptor activity
F	0031252	cellular_component	cell leading edge
F	0031253	cellular_component	cell projection membrane
F	0032534	biological_process	regulation of microvillus assembly
F	0032956	biological_process	regulation of actin cytoskeleton organization
F	0035089	biological_process	establishment of apical/basal cell polarity
F	0042995	cellular_component	cell projection
F	0044393	cellular_component	microspike
F	0045296	molecular_function	cadherin binding
F	0048870	biological_process	cell motility
F	0051015	molecular_function	actin filament binding
F	0051017	biological_process	actin filament bundle assembly
F	0051491	biological_process	positive regulation of filopodium assembly
F	0070062	cellular_component	extracellular exosome
F	0070161	cellular_component	anchoring junction
F	0071803	biological_process	positive regulation of podosome assembly
F	0090091	biological_process	positive regulation of extracellular matrix disassembly

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue C7V A 501

Chain	Residue
A	PHE14
A	ARG217
A	SER218
A	LEU16
A	LEU48
A	GLN50
A	LEU62
A	TRP101
A	LEU103
A	GLU215
A	PHE216

---

site_id	AC2
Number of Residues	11
Details	binding site for residue C7V B 501

Chain	Residue
B	PHE14
B	LEU16
B	LEU48
B	GLN50
B	TRP101
B	LEU103
B	LEU214
B	GLU215
B	PHE216
B	ARG217
B	SER218

---

site_id	AC3
Number of Residues	11
Details	binding site for residue C7V C 501

Chain	Residue
C	LEU16
C	LEU48
C	GLN50
C	ILE93
C	TRP101
C	LEU103
C	LEU214
C	GLU215
C	PHE216
C	ARG217
C	SER218

---

site_id	AC4
Number of Residues	12
Details	binding site for residue C7V D 501

Chain	Residue
D	LEU16
D	LEU48
D	GLN50
D	VAL60
D	LEU62
D	TRP101
D	LEU103
D	VAL134
D	LEU214
D	GLU215
D	PHE216
D	ARG217

---

site_id	AC5
Number of Residues	13
Details	binding site for residue C7V E 501

Chain	Residue
E	GLN11
E	PHE14
E	LEU16
E	LEU48
E	GLN50
E	ILE93
E	TRP101
E	LEU103
E	LEU214
E	GLU215
E	PHE216
E	ARG217
E	SER218

---

site_id	AC6
Number of Residues	12
Details	binding site for residue C7V F 501

Chain	Residue
F	PHE14
F	LEU16
F	LEU48
F	GLN50
F	TRP101
F	LEU103
F	VAL134
F	LEU214
F	GLU215
F	PHE216
F	ARG217
F	SER218

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Modified residue: {"description":"Phosphoserine; by PKC","evidences":[{"source":"PubMed","id":"8999969","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22155786","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q61553","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P85845","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	12
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---