Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1GTZ

Structure of STREPTOMYCES COELICOLOR TYPE II DEHYDROQUINASE R23A MUTANT IN COMPLEX WITH DEHYDROSHIKIMATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0008652	biological_process	amino acid biosynthetic process
A	0009073	biological_process	aromatic amino acid family biosynthetic process
A	0009423	biological_process	chorismate biosynthetic process
A	0016829	molecular_function	lyase activity
A	0019631	biological_process	quinate catabolic process
B	0003855	molecular_function	3-dehydroquinate dehydratase activity
B	0008652	biological_process	amino acid biosynthetic process
B	0009073	biological_process	aromatic amino acid family biosynthetic process
B	0009423	biological_process	chorismate biosynthetic process
B	0016829	molecular_function	lyase activity
B	0019631	biological_process	quinate catabolic process
C	0003855	molecular_function	3-dehydroquinate dehydratase activity
C	0008652	biological_process	amino acid biosynthetic process
C	0009073	biological_process	aromatic amino acid family biosynthetic process
C	0009423	biological_process	chorismate biosynthetic process
C	0016829	molecular_function	lyase activity
C	0019631	biological_process	quinate catabolic process
D	0003855	molecular_function	3-dehydroquinate dehydratase activity
D	0008652	biological_process	amino acid biosynthetic process
D	0009073	biological_process	aromatic amino acid family biosynthetic process
D	0009423	biological_process	chorismate biosynthetic process
D	0016829	molecular_function	lyase activity
D	0019631	biological_process	quinate catabolic process
E	0003855	molecular_function	3-dehydroquinate dehydratase activity
E	0008652	biological_process	amino acid biosynthetic process
E	0009073	biological_process	aromatic amino acid family biosynthetic process
E	0009423	biological_process	chorismate biosynthetic process
E	0016829	molecular_function	lyase activity
E	0019631	biological_process	quinate catabolic process
F	0003855	molecular_function	3-dehydroquinate dehydratase activity
F	0008652	biological_process	amino acid biosynthetic process
F	0009073	biological_process	aromatic amino acid family biosynthetic process
F	0009423	biological_process	chorismate biosynthetic process
F	0016829	molecular_function	lyase activity
F	0019631	biological_process	quinate catabolic process
G	0003855	molecular_function	3-dehydroquinate dehydratase activity
G	0008652	biological_process	amino acid biosynthetic process
G	0009073	biological_process	aromatic amino acid family biosynthetic process
G	0009423	biological_process	chorismate biosynthetic process
G	0016829	molecular_function	lyase activity
G	0019631	biological_process	quinate catabolic process
H	0003855	molecular_function	3-dehydroquinate dehydratase activity
H	0008652	biological_process	amino acid biosynthetic process
H	0009073	biological_process	aromatic amino acid family biosynthetic process
H	0009423	biological_process	chorismate biosynthetic process
H	0016829	molecular_function	lyase activity
H	0019631	biological_process	quinate catabolic process
I	0003855	molecular_function	3-dehydroquinate dehydratase activity
I	0008652	biological_process	amino acid biosynthetic process
I	0009073	biological_process	aromatic amino acid family biosynthetic process
I	0009423	biological_process	chorismate biosynthetic process
I	0016829	molecular_function	lyase activity
I	0019631	biological_process	quinate catabolic process
J	0003855	molecular_function	3-dehydroquinate dehydratase activity
J	0008652	biological_process	amino acid biosynthetic process
J	0009073	biological_process	aromatic amino acid family biosynthetic process
J	0009423	biological_process	chorismate biosynthetic process
J	0016829	molecular_function	lyase activity
J	0019631	biological_process	quinate catabolic process
K	0003855	molecular_function	3-dehydroquinate dehydratase activity
K	0008652	biological_process	amino acid biosynthetic process
K	0009073	biological_process	aromatic amino acid family biosynthetic process
K	0009423	biological_process	chorismate biosynthetic process
K	0016829	molecular_function	lyase activity
K	0019631	biological_process	quinate catabolic process
L	0003855	molecular_function	3-dehydroquinate dehydratase activity
L	0008652	biological_process	amino acid biosynthetic process
L	0009073	biological_process	aromatic amino acid family biosynthetic process
L	0009423	biological_process	chorismate biosynthetic process
L	0016829	molecular_function	lyase activity
L	0019631	biological_process	quinate catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK A1162

Chain	Residue
A	TYR28
A	HOH2013
B	ASP92
A	ASN79
A	ALA81
A	ALA82
A	HIS85
A	HIS106
A	ILE107
A	SER108
A	ARG117

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS A1152

Chain	Residue
A	GLU59
A	THR86
A	SER87
B	GLU59
B	THR86
B	SER87
C	GLU59
C	THR86
C	SER87

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK B1162

Chain	Residue
B	TYR28
B	ASN79
B	ALA81
B	ALA82
B	HIS85
B	HIS106
B	ILE107
B	SER108
B	ARG117
B	HOH2116
C	ASP92

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DHK C1162

Chain	Residue
A	ASP92
C	TYR28
C	ASN79
C	ALA81
C	ALA82
C	HIS85
C	ILE107
C	SER108
C	ARG117
C	HOH2093

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DHK D1162

Chain	Residue
D	TYR28
D	ASN79
D	ALA81
D	ALA82
D	HIS85
D	ILE107
D	SER108
D	ARG117
D	HOH2014
E	ASP92

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS D1152

Chain	Residue
D	GLU59
D	THR86
D	SER87
E	GLU59
E	THR86
E	SER87
F	GLU59
F	THR86
F	SER87

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK E1162

Chain	Residue
E	TYR28
E	ASN79
E	ALA81
E	ALA82
E	HIS85
E	HIS106
E	ILE107
E	SER108
E	ARG117
E	HOH2163
F	ASP92

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK F1162

Chain	Residue
D	ASP92
F	TYR28
F	ASN79
F	ALA81
F	ALA82
F	HIS85
F	HIS106
F	ILE107
F	SER108
F	ARG117
F	HOH2009

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DHK G1162

Chain	Residue
G	TYR28
G	ASN79
G	ALA81
G	ALA82
G	HIS85
G	ILE107
G	SER108
G	ARG117
G	HOH2015
H	ASP92

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS G1153

Chain	Residue
I	THR86
I	SER87
G	GLU59
G	THR86
G	SER87
H	GLU59
H	THR86
H	SER87
I	GLU59

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK H1162

Chain	Residue
H	TYR28
H	ASN79
H	ALA81
H	ALA82
H	HIS85
H	HIS106
H	ILE107
H	SER108
H	ARG117
H	HOH2012
I	ASP92

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK I1162

Chain	Residue
G	ASP92
I	TYR28
I	ASN79
I	ALA81
I	ALA82
I	HIS85
I	HIS106
I	ILE107
I	SER108
I	ARG117
I	HOH2012

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK J1162

Chain	Residue
J	TYR28
J	ASN79
J	ALA81
J	ALA82
J	HIS85
J	HIS106
J	ILE107
J	SER108
J	ARG117
J	HOH2009
K	ASP92

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS J1152

Chain	Residue
J	GLU59
J	THR86
J	SER87
K	GLU59
K	THR86
K	SER87
L	GLU59
L	THR86
L	SER87

site_id	BC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHK K1162

Chain	Residue
K	TYR28
K	ASN79
K	ALA81
K	ALA82
K	HIS85
K	HIS106
K	ILE107
K	SER108
K	ARG117
K	HOH2008
L	ASP92

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DHK L1162

Chain	Residue
J	ASP92
L	TYR28
L	ASN79
L	ALA81
L	ALA82
L	HIS85
L	ILE107
L	SER108
L	ARG117
L	HOH2004

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	GLY29
J	GLY29
K	GLY29
L	GLY29
B	GLY29
C	GLY29
D	GLY29
E	GLY29
F	GLY29
G	GLY29
H	GLY29
I	GLY29

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	ILE107
J	ILE107
K	ILE107
L	ILE107
B	ILE107
C	ILE107
D	ILE107
E	ILE107
F	ILE107
G	ILE107
H	ILE107
I	ILE107

site_id	SWS_FT_FI3
Number of Residues	60
Details	BINDING:

Chain	Residue	Details
A	PRO80
B	HIS118
C	PRO80
C	THR86
C	ALA93
C	SER108
C	HIS118
D	PRO80
D	THR86
D	ALA93
D	SER108
A	THR86
D	HIS118
E	PRO80
E	THR86
E	ALA93
E	SER108
E	HIS118
F	PRO80
F	THR86
F	ALA93
F	SER108
A	ALA93
F	HIS118
G	PRO80
G	THR86
G	ALA93
G	SER108
G	HIS118
H	PRO80
H	THR86
H	ALA93
H	SER108
A	SER108
H	HIS118
I	PRO80
I	THR86
I	ALA93
I	SER108
I	HIS118
J	PRO80
J	THR86
J	ALA93
J	SER108
A	HIS118
J	HIS118
K	PRO80
K	THR86
K	ALA93
K	SER108
K	HIS118
L	PRO80
L	THR86
L	ALA93
L	SER108
B	PRO80
L	HIS118
B	THR86
B	ALA93
B	SER108

site_id	SWS_FT_FI4
Number of Residues	12
Details	SITE: Transition state stabilizer

Chain	Residue	Details
A	GLN24
J	GLN24
K	GLN24
L	GLN24
B	GLN24
C	GLN24
D	GLN24
E	GLN24
F	GLN24
G	GLN24
H	GLN24
I	GLN24

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
A	ASN16	activator, hydrogen bond acceptor, steric role
A	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
A	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	PRO80	hydrogen bond acceptor, steric role
A	TYR83	activator, hydrogen bond donor, steric role
A	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA10
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
J	ASN16	activator, hydrogen bond acceptor, steric role
J	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
J	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	PRO80	hydrogen bond acceptor, steric role
J	TYR83	activator, hydrogen bond donor, steric role
J	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
J	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA11
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
K	ASN16	activator, hydrogen bond acceptor, steric role
K	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
K	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	PRO80	hydrogen bond acceptor, steric role
K	TYR83	activator, hydrogen bond donor, steric role
K	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
K	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA12
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
L	ASN16	activator, hydrogen bond acceptor, steric role
L	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
L	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	PRO80	hydrogen bond acceptor, steric role
L	TYR83	activator, hydrogen bond donor, steric role
L	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
L	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA2
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
B	ASN16	activator, hydrogen bond acceptor, steric role
B	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
B	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	PRO80	hydrogen bond acceptor, steric role
B	TYR83	activator, hydrogen bond donor, steric role
B	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA3
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
C	ASN16	activator, hydrogen bond acceptor, steric role
C	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
C	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	PRO80	hydrogen bond acceptor, steric role
C	TYR83	activator, hydrogen bond donor, steric role
C	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA4
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
D	ASN16	activator, hydrogen bond acceptor, steric role
D	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
D	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	PRO80	hydrogen bond acceptor, steric role
D	TYR83	activator, hydrogen bond donor, steric role
D	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA5
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
E	ASN16	activator, hydrogen bond acceptor, steric role
E	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
E	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	PRO80	hydrogen bond acceptor, steric role
E	TYR83	activator, hydrogen bond donor, steric role
E	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
E	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA6
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
F	ASN16	activator, hydrogen bond acceptor, steric role
F	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
F	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	PRO80	hydrogen bond acceptor, steric role
F	TYR83	activator, hydrogen bond donor, steric role
F	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
F	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA7
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
G	ASN16	activator, hydrogen bond acceptor, steric role
G	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
G	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	PRO80	hydrogen bond acceptor, steric role
G	TYR83	activator, hydrogen bond donor, steric role
G	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
G	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA8
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
H	ASN16	activator, hydrogen bond acceptor, steric role
H	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
H	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	PRO80	hydrogen bond acceptor, steric role
H	TYR83	activator, hydrogen bond donor, steric role
H	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
H	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA9
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
I	ASN16	activator, hydrogen bond acceptor, steric role
I	LEU17	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	GLN24	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
I	GLY29	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	PRO80	hydrogen bond acceptor, steric role
I	TYR83	activator, hydrogen bond donor, steric role
I	VAL105	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	ILE107	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
I	GLU114	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

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