Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2CJF

TYPE II DEHYDROQUINASE INHIBITOR COMPLEX

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	13
Details	BINDING SITE FOR RESIDUE PO4 B 1352

Chain	Residue
A	HIS58
B	HOH2141
C	HIS458
C	GLU459
C	GLY460
A	GLU59
A	GLY60
A	HOH2075
B	HIS258
B	GLU259
B	GLY260
B	HOH2139
B	HOH2140

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 F 2152

Chain	Residue
D	GLY660
D	HOH2081
E	HIS858
E	GLY860
E	HOH2104
F	HIS1058
F	GLU1059
F	GLY1060
F	HOH2131

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 G 2352

Chain	Residue
G	HIS1258
G	GLY1260
G	HOH2130
H	HIS1458
H	GLY1460
H	HOH2066
I	HIS1658
I	GLY1660

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 J 2952

Chain	Residue
J	HIS1858
J	GLY1860
J	HOH2067
J	HOH2107
K	HIS2058
K	GLU2059
K	GLY2060
K	HOH7064
L	HIS2258
L	GLY2260

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE RP4 A 1151

Chain	Residue
A	LEU19
A	ARG23
A	TYR28
A	ASN79
A	ALA81
A	ALA82
A	HIS85
A	HIS106
A	ILE107
A	SER108
A	ARG117
A	HOH2009
A	HOH2014
B	ASP292
B	HOH2099

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE RP4 B 1351

Chain	Residue
B	ASN216
B	LEU220
B	GLY221
B	ARG223
B	TYR228
B	ASN279
B	ALA281
B	ALA282
B	HIS285
B	HIS306
B	ILE307
B	SER308
B	ILE310
B	ARG317
B	HOH2036
B	HOH2046
C	ASP492

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS B 1353

Chain	Residue
A	GLU59
A	THR86
A	SER87
B	GLU259
B	TYR283
B	THR286
C	GLU459
C	THR486
C	SER487

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE RP4 C 1551

Chain	Residue
A	ASP92
C	ASN416
C	ARG423
C	TYR428
C	ASN479
C	ALA481
C	ALA482
C	HIS485
C	HIS506
C	ILE507
C	SER508
C	ARG517
C	HOH2035

site_id	AC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE RP4 D 1751

Chain	Residue
D	ALA681
D	ALA682
D	HIS685
D	HIS706
D	ILE707
D	SER708
D	ARG717
E	ASP892
D	ASN616
D	LEU619
D	ARG623
D	TYR628
D	ASN679

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TRS D 1752

Chain	Residue
D	GLU659
D	THR686
D	SER687
D	HOH2082
E	GLU859
E	THR886
E	SER887
F	GLU1059
F	TYR1083
F	THR1086
F	SER1087

site_id	BC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE RP4 E 1951

Chain	Residue
E	ASN816
E	LEU819
E	LEU820
E	ARG823
E	TYR828
E	ASN879
E	ALA881
E	ALA882
E	HIS885
E	HIS906
E	ILE907
E	SER908
E	ILE910
E	ARG917
E	HOH2064
F	ASP1092
F	HOH2087

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE RP4 F 2151

Chain	Residue
D	ASP692
F	ASN1016
F	LEU1017
F	LEU1019
F	LEU1020
F	TYR1028
F	ASN1079
F	ALA1081
F	ALA1082
F	HIS1085
F	HIS1106
F	ILE1107
F	SER1108
F	ARG1117

site_id	BC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE RP4 G 2351

Chain	Residue
G	ASN1216
G	LEU1219
G	LEU1220
G	ARG1223
G	TYR1228
G	ASN1279
G	ALA1281
G	ALA1282
G	HIS1285
G	HIS1306
G	ILE1307
G	SER1308
G	ILE1310
G	ARG1317
G	HOH2024
G	HOH2027
H	ASP1492
H	THR1496

site_id	BC5
Number of Residues	17
Details	BINDING SITE FOR RESIDUE RP4 H 2551

Chain	Residue
H	ASN1416
H	LEU1417
H	LEU1419
H	LEU1420
H	ARG1423
H	TYR1428
H	ASN1479
H	ALA1481
H	ALA1482
H	HIS1485
H	HIS1506
H	ILE1507
H	SER1508
H	ARG1517
H	HOH2031
I	ASP1692
I	HOH2091

site_id	BC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE RP4 I 2751

Chain	Residue
G	ASP1292
G	HOH2085
I	ASN1616
I	LEU1617
I	LEU1619
I	LEU1620
I	ARG1623
I	TYR1628
I	ASN1679
I	ALA1681
I	ALA1682
I	HIS1685
I	HIS1706
I	ILE1707
I	SER1708
I	ARG1717

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS I 2752

Chain	Residue
G	GLU1259
G	THR1286
G	SER1287
H	GLU1459
H	THR1486
H	SER1487
I	GLU1659
I	THR1686
I	SER1687
I	HOH2075

site_id	BC8
Number of Residues	15
Details	BINDING SITE FOR RESIDUE RP4 J 2951

Chain	Residue
J	ASN1816
J	LEU1817
J	LEU1819
J	LEU1820
J	ARG1823
J	TYR1828
J	ASN1879
J	ALA1881
J	ALA1882
J	HIS1885
J	HIS1906
J	ILE1907
J	SER1908
J	ARG1917
K	ASP2092

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS J 2953

Chain	Residue
J	GLU1859
J	THR1886
J	SER1887
K	GLU2059
K	THR2086
L	GLU2259
L	THR2286
L	SER2287

site_id	CC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE RP4 K 3151

Chain	Residue
K	ASN2016
K	LEU2019
K	LEU2020
K	ARG2023
K	TYR2028
K	ASN2079
K	ALA2081
K	ALA2082
K	HIS2085
K	HIS2106
K	ILE2107
K	SER2108
K	ILE2110
K	ARG2117
K	HOH7018
L	ASP2292

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE RP4 L 3351

Chain	Residue
J	ASP1892
L	ASN2216
L	LEU2217
L	LEU2219
L	ARG2223
L	TYR2228
L	ASN2279
L	ALA2281
L	ALA2282
L	HIS2285
L	HIS2306
L	ILE2307
L	SER2308
L	ILE2310
L	ARG2317

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1152

Chain	Residue
A	HIS111
A	HIS118
A	HOH2097
A	HOH2118
D	HIS718
D	HIS719
D	SER720
D	HOH2120

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1354

Chain	Residue
B	HIS311
B	HIS318
G	HIS1319
G	SER1320
G	HOH2132
G	GOL2353

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1753

Chain	Residue
A	HIS118
A	HIS119
A	SER120
D	HIS711
D	HIS718
D	HOH2109
D	HOH2139
D	HOH2140

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 1952

Chain	Residue
E	HIS911
E	HIS918
L	HOH2107
L	HOH2114
L	HIS2319
L	SER2320

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 2153

Chain	Residue
F	HIS1111
F	HIS1118
F	HOH2133
H	HIS1519
H	SER1520

site_id	CC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL G 2353

Chain	Residue
B	HIS318
B	HIS319
B	SER320
B	GOL1354
B	HOH2116
G	HIS1311
G	HIS1318
G	HOH2132
G	HOH2133

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL H 2552

Chain	Residue
F	HIS1118
F	HIS1119
F	SER1120
F	HOH2103
H	HIS1511
H	HIS1518

site_id	DC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL J 2954

Chain	Residue
C	HIS511
C	HIS518
J	HIS1918
J	HIS1919
J	SER1920
J	HOH2085
J	HOH2108
J	HOH2109
J	HOH2110
J	GOL2955

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL J 2955

Chain	Residue
C	HIS518
C	HIS519
C	SER520
C	HOH2111
J	HIS1911
J	HIS1918
J	HOH2111
J	GOL2954

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL K 3152

Chain	Residue
I	HIS1719
I	SER1720
I	GLN1724
I	HOH2114
K	HIS2111
K	HIS2118
K	HOH7081
K	HOH7115

site_id	DC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL K 3153

Chain	Residue
I	HIS1711
I	HIS1718
K	HIS2118
K	HIS2119
K	SER2120
K	HOH7097
K	HOH7116
K	HOH7117

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL L 3352

Chain	Residue
E	HIS919
E	SER920
E	SER923
L	HOH2132
L	HIS2311
L	HIS2318

Functional Information from PROSITE/UniProt

site_id	PS01029
Number of Residues	18
Details	DEHYDROQUINASE_II Dehydroquinase class II signature. LNGPNLnlLGqRQpeiYG

Chain	Residue	Details
A	LEU12-GLY29

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	TYR28
J	TYR1828
K	TYR2028
L	TYR2228
B	TYR228
C	TYR428
D	TYR628
E	TYR828
F	TYR1028
G	TYR1228
H	TYR1428
I	TYR1628

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	HIS106
J	HIS1906
K	HIS2106
L	HIS2306
B	HIS306
C	HIS506
D	HIS706
E	HIS906
F	HIS1106
G	HIS1306
H	HIS1506
I	HIS1706

site_id	SWS_FT_FI3
Number of Residues	60
Details	BINDING:

Chain	Residue	Details
A	ASN79
B	ARG317
C	ASN479
C	HIS485
C	ASP492
C	ILE507
C	ARG517
D	ASN679
D	HIS685
D	ASP692
D	ILE707
A	HIS85
D	ARG717
E	ASN879
E	HIS885
E	ASP892
E	ILE907
E	ARG917
F	ASN1079
F	HIS1085
F	ASP1092
F	ILE1107
A	ASP92
F	ARG1117
G	ASN1279
G	HIS1285
G	ASP1292
G	ILE1307
G	ARG1317
H	ASN1479
H	HIS1485
H	ASP1492
H	ILE1507
A	ILE107
H	ARG1517
I	ASN1679
I	HIS1685
I	ASP1692
I	ILE1707
I	ARG1717
J	ASN1879
J	HIS1885
J	ASP1892
J	ILE1907
A	ARG117
J	ARG1917
K	ASN2079
K	HIS2085
K	ASP2092
K	ILE2107
K	ARG2117
L	ASN2279
L	HIS2285
L	ASP2292
L	ILE2307
B	ASN279
L	ARG2317
B	HIS285
B	ASP292
B	ILE307

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

Chain	Residue	Details
A	ARG23
J	ARG1823
K	ARG2023
L	ARG2223
B	ARG223
C	ARG423
D	ARG623
E	ARG823
F	ARG1023
G	ARG1223
H	ARG1423
I	ARG1623

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
A	PRO15	activator, hydrogen bond acceptor, steric role
A	ASN16	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ARG23	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
A	TYR28	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASN79	hydrogen bond acceptor, steric role
A	ALA82	activator, hydrogen bond donor, steric role
A	GLU104	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	HIS106	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	ARG113	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA2
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
B	PRO215	activator, hydrogen bond acceptor, steric role
B	ASN216	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ARG223	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
B	TYR228	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ASN279	hydrogen bond acceptor, steric role
B	ALA282	activator, hydrogen bond donor, steric role
B	GLU304	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	HIS306	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	ARG313	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA3
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
C	PRO415	activator, hydrogen bond acceptor, steric role
C	ASN416	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ARG423	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
C	TYR428	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ASN479	hydrogen bond acceptor, steric role
C	ALA482	activator, hydrogen bond donor, steric role
C	GLU504	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	HIS506	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	ARG513	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA4
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
D	PRO615	activator, hydrogen bond acceptor, steric role
D	ASN616	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ARG623	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
D	TYR628	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ASN679	hydrogen bond acceptor, steric role
D	ALA682	activator, hydrogen bond donor, steric role
D	GLU704	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	HIS706	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	ARG713	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA5
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
E	PRO815	activator, hydrogen bond acceptor, steric role
E	ASN816	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	ARG823	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
E	TYR828	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	ASN879	hydrogen bond acceptor, steric role
E	ALA882	activator, hydrogen bond donor, steric role
E	GLU904	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	HIS906	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
E	ARG913	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA6
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
F	PRO1015	activator, hydrogen bond acceptor, steric role
F	ASN1016	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	ARG1023	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
F	TYR1028	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	ASN1079	hydrogen bond acceptor, steric role
F	ALA1082	activator, hydrogen bond donor, steric role
F	GLU1104	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	HIS1106	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
F	ARG1113	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA7
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
G	PRO1215	activator, hydrogen bond acceptor, steric role
G	ASN1216	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	ARG1223	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
G	TYR1228	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	ASN1279	hydrogen bond acceptor, steric role
G	ALA1282	activator, hydrogen bond donor, steric role
G	GLU1304	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
G	HIS1306	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
G	ARG1313	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA8
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
H	PRO1415	activator, hydrogen bond acceptor, steric role
H	ASN1416	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	ARG1423	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
H	TYR1428	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	ASN1479	hydrogen bond acceptor, steric role
H	ALA1482	activator, hydrogen bond donor, steric role
H	GLU1504	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
H	HIS1506	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
H	ARG1513	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA9
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
I	PRO1615	activator, hydrogen bond acceptor, steric role
I	ASN1616	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	ARG1623	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
I	TYR1628	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	ASN1679	hydrogen bond acceptor, steric role
I	ALA1682	activator, hydrogen bond donor, steric role
I	GLU1704	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
I	HIS1706	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
I	ARG1713	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA10
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
J	PRO1815	activator, hydrogen bond acceptor, steric role
J	ASN1816	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	ARG1823	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
J	TYR1828	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	ASN1879	hydrogen bond acceptor, steric role
J	ALA1882	activator, hydrogen bond donor, steric role
J	GLU1904	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
J	HIS1906	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
J	ARG1913	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA11
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
K	PRO2015	activator, hydrogen bond acceptor, steric role
K	ASN2016	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	ARG2023	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
K	TYR2028	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	ASN2079	hydrogen bond acceptor, steric role
K	ALA2082	activator, hydrogen bond donor, steric role
K	GLU2104	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
K	HIS2106	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
K	ARG2113	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

site_id	MCSA12
Number of Residues	9
Details	M-CSA 55

Chain	Residue	Details
L	PRO2215	activator, hydrogen bond acceptor, steric role
L	ASN2216	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	ARG2223	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction
L	TYR2228	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	ASN2279	hydrogen bond acceptor, steric role
L	ALA2282	activator, hydrogen bond donor, steric role
L	GLU2304	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
L	HIS2306	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
L	ARG2313	activator, attractive charge-charge interaction, electrostatic stabiliser, polar interaction

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