Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1JKI

myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004512	molecular_function	inositol-3-phosphate synthase activity
A	0005737	cellular_component	cytoplasm
A	0006021	biological_process	inositol biosynthetic process
A	0006629	biological_process	lipid metabolic process
A	0008654	biological_process	phospholipid biosynthetic process
A	0016853	molecular_function	isomerase activity
B	0004512	molecular_function	inositol-3-phosphate synthase activity
B	0005737	cellular_component	cytoplasm
B	0006021	biological_process	inositol biosynthetic process
B	0006629	biological_process	lipid metabolic process
B	0008654	biological_process	phospholipid biosynthetic process
B	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NH4 A 670

Chain	Residue
A	LEU352
A	ASN354
A	ASP438
A	DG6630
A	NAI650

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NH4 B 680

Chain	Residue
B	NAI660
B	LEU352
B	ASN354
B	ASP438
B	DG6640

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE DG6 A 630

Chain	Residue
A	ASP320
A	SER323
A	GLN325
A	ASN350
A	ASP356
A	GLY357
A	LEU360
A	LYS369
A	ILE402
A	LYS412
A	LYS489
A	NAI650
A	NH4670

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE DG6 B 640

Chain	Residue
B	SER323
B	GLN325
B	THR326
B	LEU352
B	ASN354
B	ASP356
B	GLY357
B	LEU360
B	LYS369
B	ILE402
B	LYS412
B	LYS489
B	NAI660
B	NH4680
B	HOH986
B	HOH995

site_id	AC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAI A 650

Chain	Residue
A	GLY72
A	GLY74
A	GLY75
A	ASN76
A	ASN77
A	ASP148
A	ILE149
A	SER184
A	ILE185
A	ARG198
A	THR244
A	ALA245
A	ASN246
A	THR247
A	GLY295
A	SER296
A	LEU321
A	ASN355
A	ASP356
A	LYS369
A	ASP410
A	ASP438
A	SER439
A	ALA442
A	DG6630
A	NH4670
A	HOH674
A	HOH777
A	HOH784
A	HOH892
A	HOH893

site_id	AC6
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NAI B 660

Chain	Residue
B	GLY72
B	GLY75
B	ASN76
B	ASN77
B	ASP148
B	ILE149
B	SER184
B	ILE185
B	ARG198
B	THR244
B	ALA245
B	ASN246
B	THR247
B	GLY295
B	SER296
B	ASN355
B	ASP356
B	LYS369
B	ASP410
B	ASP438
B	SER439
B	DG6640
B	NH4680
B	HOH754
B	HOH755
B	HOH915
B	HOH969
B	HOH986

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI17
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12836703","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14684747","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1LA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RM0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI18
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11779862","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12832758","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1JKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1P1K","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI19
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23902760","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI20
Number of Residues	6
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23902760","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI21
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19779198","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI22
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23902760","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 331

Chain	Residue	Details
A	ASP320	electrostatic stabiliser, hydrogen bond acceptor
A	LYS369	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LYS412	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LYS489	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA2
Number of Residues	4
Details	M-CSA 331

Chain	Residue	Details
B	ASP320	electrostatic stabiliser, hydrogen bond acceptor
B	LYS369	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LYS412	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LYS489	electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)