Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1P1H

Crystal structure of the 1L-myo-inositol/NAD+ complex

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
C	0004512	molecular_function	inositol-3-phosphate synthase activity
C	0005737	cellular_component	cytoplasm
C	0006021	biological_process	inositol biosynthetic process
C	0006629	biological_process	lipid metabolic process
C	0008654	biological_process	phospholipid biosynthetic process
C	0016853	molecular_function	isomerase activity
D	0004512	molecular_function	inositol-3-phosphate synthase activity
D	0005737	cellular_component	cytoplasm
D	0006021	biological_process	inositol biosynthetic process
D	0006629	biological_process	lipid metabolic process
D	0008654	biological_process	phospholipid biosynthetic process
D	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAD A 650

Chain	Residue
A	ILE71
A	ILE185
A	ILE191
A	ARG198
A	THR244
A	ALA245
A	ASN246
A	THR247
A	GLY295
A	SER296
A	PRO297
A	GLY72
A	LEU321
A	ASN355
A	ASP356
A	ASP438
A	SER439
A	HOH652
A	HOH708
A	HOH824
A	HOH872
A	HOH1031
A	GLY74
A	HOH1061
A	GLY75
A	ASN76
A	ASN77
A	ASP148
A	ILE149
A	SER184

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD B 660

Chain	Residue
B	ILE71
B	GLY72
B	GLY74
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	PRO297
B	ASP320
B	LEU321
B	ASN354
B	ASN355
B	ASP356
B	ASP438
B	ALA442
B	HOH691
B	HOH815

site_id	AC3
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD C 670

Chain	Residue
C	GLY72
C	GLY74
C	GLY75
C	ASN76
C	ASN77
C	ASP148
C	ILE149
C	SER184
C	ILE185
C	ILE191
C	ARG198
C	THR244
C	ALA245
C	ASN246
C	THR247
C	GLY295
C	SER296
C	LEU321
C	ASN355
C	ASP356
C	LYS369
C	ASP410
C	ASP438
C	SER439
C	HOH688
C	HOH736
C	HOH755
C	HOH778
C	HOH780
C	HOH782
C	HOH914

site_id	AC4
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAD D 680

Chain	Residue
D	ARG198
D	THR244
D	ALA245
D	ASN246
D	THR247
D	GLY295
D	SER296
D	ASP320
D	ASN354
D	ASN355
D	ASP356
D	ASP438
D	SER439
D	HOH712
D	HOH778
D	HOH808
D	HOH820
D	HOH836
D	HOH997
D	ILE71
D	GLY72
D	GLY74
D	GLY75
D	ASN76
D	ASN77
D	ASP148
D	ILE149
D	SER184
D	ILE185
D	ILE191

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
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	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":"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	20
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	4
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	8
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	15
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	4
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	4
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	4
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	8
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	4
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	4
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	4
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	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":"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	4
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_FI16
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":"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_FI17
Number of Residues	4
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_FI18
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23902760","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI19
Number of Residues	12
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23902760","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI20
Number of Residues	1
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_FI21
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19779198","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI22
Number of Residues	1
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	3
Details	M-CSA 331

Chain	Residue	Details
A	ASP320	electrostatic stabiliser, hydrogen bond acceptor
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	3
Details	M-CSA 331

Chain	Residue	Details
B	ASP320	electrostatic stabiliser, hydrogen bond acceptor
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

site_id	MCSA3
Number of Residues	4
Details	M-CSA 331

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

site_id	MCSA4
Number of Residues	3
Details	M-CSA 331

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

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