3WCJ

The complex structure of HsSQS wtih ligand,E5700

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008610	biological_process	lipid biosynthetic process
A	0009058	biological_process	biosynthetic process
A	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
A	0045338	biological_process	farnesyl diphosphate metabolic process
A	0051996	molecular_function	squalene synthase [NAD(P)H] activity
B	0008610	biological_process	lipid biosynthetic process
B	0009058	biological_process	biosynthetic process
B	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
B	0045338	biological_process	farnesyl diphosphate metabolic process
B	0051996	molecular_function	squalene synthase [NAD(P)H] activity
C	0008610	biological_process	lipid biosynthetic process
C	0009058	biological_process	biosynthetic process
C	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
C	0045338	biological_process	farnesyl diphosphate metabolic process
C	0051996	molecular_function	squalene synthase [NAD(P)H] activity
D	0008610	biological_process	lipid biosynthetic process
D	0009058	biological_process	biosynthetic process
D	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
D	0045338	biological_process	farnesyl diphosphate metabolic process
D	0051996	molecular_function	squalene synthase [NAD(P)H] activity
E	0008610	biological_process	lipid biosynthetic process
E	0009058	biological_process	biosynthetic process
E	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
E	0045338	biological_process	farnesyl diphosphate metabolic process
E	0051996	molecular_function	squalene synthase [NAD(P)H] activity
F	0008610	biological_process	lipid biosynthetic process
F	0009058	biological_process	biosynthetic process
F	0016765	molecular_function	transferase activity, transferring alkyl or aryl (other than methyl) groups
F	0045338	biological_process	farnesyl diphosphate metabolic process
F	0051996	molecular_function	squalene synthase [NAD(P)H] activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE E5S A 901

Chain	Residue
A	ILE58
A	PHE288
A	CYS289
A	GLN293
A	TYR73
A	LEU76
A	ASP80
A	VAL175
A	VAL179
A	MET207
A	LEU211
A	TYR276

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE E5S B 401

Chain	Residue
B	TYR73
B	ASP80
B	VAL175
B	VAL179
B	MET207
B	LEU211
B	TYR276
B	PHE288
B	CYS289
B	GLN293
B	HOH501
B	HOH634

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE E5S C 401

Chain	Residue
C	TYR73
C	LEU76
C	ASP80
C	VAL175
C	VAL179
C	LEU183
C	MET207
C	LEU211
C	TYR276
C	PHE288
C	CYS289
C	GLN293

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE E5S D 401

Chain	Residue
D	TYR73
D	LEU76
D	ASP80
D	VAL175
D	VAL179
D	MET207
D	LEU211
D	TYR276
D	PHE288
D	CYS289
D	GLN293

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE E5S E 401

Chain	Residue
E	PHE54
E	TYR73
E	ASP80
E	VAL175
E	ALA176
E	VAL179
E	LEU183
E	MET207
E	LEU211
E	TYR276
E	PHE288
E	CYS289
E	GLN293

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE E5S F 401

Chain	Residue
F	PHE54
F	VAL69
F	TYR73
F	ASP80
F	VAL175
F	VAL179
F	LEU183
F	MET207
F	LEU211
F	TYR276
F	PHE288
F	CYS289
F	GLN293

---

Functional Information from PROSITE/UniProt

site_id	PS01044
Number of Residues	16
Details	SQUALEN_PHYTOEN_SYN_1 Squalene and phytoene synthases signature 1. YChyVAGLVGigLsrL

Chain	Residue	Details
A	TYR171-LEU186

---

site_id	PS01045
Number of Residues	26
Details	SQUALEN_PHYTOEN_SYN_2 Squalene and phytoene synthases signature 2. MGlflQkt.NIiRDYleDqqgg...ReFwP

Chain	Residue	Details
A	MET207-PRO232

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	120
Details	Transmembrane: {"description":"Helical","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	29
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24531458","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24531458","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3WEG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WEH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
A	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
A	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
A	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
B	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
B	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
B	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
C	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
C	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
C	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---

site_id	MCSA4
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
D	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
D	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
D	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---

site_id	MCSA5
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
E	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
E	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
E	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---

site_id	MCSA6
Number of Residues	4
Details	M-CSA 264

Chain	Residue	Details
F	TYR171	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	ARG218	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
F	ARG228	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
F	PHE288	polar/non-polar interaction, steric role, van der waals interaction

---