Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3WCH

The complex structure of HsSQS wtih ligand BPH1237

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	9
Details	BINDING SITE FOR RESIDUE 8PH A 401

Chain	Residue
A	ARG77
A	ASP80
A	ASP84
A	VAL175
A	ALA176
A	GLY180
A	GLN212
A	CYS289
A	HOH535

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 8PH A 402

Chain	Residue
A	PHE54
A	VAL69
A	TYR73
A	LEU183
A	8PH403

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 8PH A 403

Chain	Residue
A	THR50
A	SER51
A	ARG52
A	SER53
A	ASN215
A	8PH402
A	HOH539

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 8PH B 401

Chain	Residue
B	ASP80
B	ASP84
B	VAL175
B	ALA176
B	VAL179
B	GLY180
B	LEU183
B	MET207
B	LEU211
B	GLN212
B	ASN215
B	HOH576

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE 8PH B 402

Chain	Residue
B	PHE54
B	TYR73

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 8PH C 401

Chain	Residue
C	ARG52
C	ARG77
C	ASP80
C	ASP84
C	VAL175
C	GLY180
C	LEU211
C	GLN212
C	HOH558

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 8PH D 401

Chain	Residue
D	ASP80
D	ASP84
D	VAL175
D	ALA176
D	GLY180
D	LEU183
D	LEU211
D	TYR276
D	CYS289
D	HOH526

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 8PH E 401

Chain	Residue
E	ARG52
E	SER53
E	PHE54
E	GLY180
E	LEU183
E	MET207
E	GLN212
E	ASN215
E	ARG218
E	HOH508
E	HOH522

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 8PH F 401

Chain	Residue
F	ARG77
F	ASP80
F	ASP84
F	LEU183
F	LEU211
F	GLN212
F	CYS289
F	HOH517

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 8PH F 402

Chain	Residue
F	ARG52
F	SER53
F	PHE54
F	TYR73
F	HOH511

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	30
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

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