Receptor
PDB id Resolution Class Description Source Keywords
2JIG 1.85 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII PROLYL-4 HYDROXYLASE TYPE I COMPLEXED WITH ZINC AND PYRIDINE-2,4- D ICARBOXYLATE CHLAMYDOMONAS REINHARDTII HYDROLASE
Ref.: THE ACTIVE SITE OF AN ALGAL PROLYL 4-HYDROXYLASE HA LARGE STRUCTURAL PLASTICITY. J.BIOL.CHEM. V. 282 37112 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1255;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PD2 A:1254;
Valid;
none;
Ki = 70 uM
167.119 C7 H5 N O4 c1cnc...
SO4 A:1256;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1252;
A:1253;
B:1252;
B:1253;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JIG 1.85 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII PROLYL-4 HYDROXYLASE TYPE I COMPLEXED WITH ZINC AND PYRIDINE-2,4- D ICARBOXYLATE CHLAMYDOMONAS REINHARDTII HYDROLASE
Ref.: THE ACTIVE SITE OF AN ALGAL PROLYL 4-HYDROXYLASE HA LARGE STRUCTURAL PLASTICITY. J.BIOL.CHEM. V. 282 37112 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2JIG Ki = 70 uM PD2 C7 H5 N O4 c1cnc(cc1C....
2 3GZE - SER PRO SER PRO SER PRO SER PRO SER PRO n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2JIG Ki = 70 uM PD2 C7 H5 N O4 c1cnc(cc1C....
2 3GZE - SER PRO SER PRO SER PRO SER PRO SER PRO n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2JIG Ki = 70 uM PD2 C7 H5 N O4 c1cnc(cc1C....
2 3GZE - SER PRO SER PRO SER PRO SER PRO SER PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PD2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PD2 1 1
2 VGL 0.432432 0.68
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JIG; Ligand: PD2; Similar sites found: 194
This union binding pocket(no: 1) in the query (biounit: 2jig.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXG OTP 0.01048 0.44502 None
2 2VDF OCT 0.0135 0.41774 0.892857
3 5KR7 6X9 0.00162 0.42416 1.33929
4 3FW4 CAQ 0.01739 0.41235 1.68539
5 1NX4 AKG 0.00006342 0.51812 1.78571
6 5F3I 5UJ 0.0009045 0.50891 1.78571
7 2Q8C AKG 0.0002083 0.49277 1.78571
8 2Q8E OGA 0.0003027 0.48527 1.78571
9 4OJ8 AKG 0.00002752 0.45593 1.78571
10 2P5B OGA 0.001626 0.44607 1.78571
11 4OJ8 2TQ 0.00003413 0.43809 1.78571
12 5DEY 59T 0.03292 0.40992 1.78571
13 4RFR RHN 0.000004417 0.58215 1.97044
14 5I0U DCY 0.00002317 0.53179 2
15 5LUN OGA 0.00000001135 0.69806 2.23214
16 5LUN ARG 0.0000001654 0.47652 2.23214
17 1UNB AKG 0.000001181 0.44741 2.23214
18 1UNB PN1 0.000001419 0.43316 2.23214
19 5UI2 EQ3 0.04595 0.40014 2.23214
20 1MEX RAC 0.001505 0.43204 2.32558
21 1U0A BGC BGC BGC BGC 0.01732 0.40058 2.33645
22 4BJ8 BTN 0.00121 0.4572 2.38095
23 5JSP DQY 0.0007905 0.43935 2.48756
24 3VV1 GAL FUC 0.004341 0.43038 2.5
25 4NPL AKG 0.0000001728 0.64818 2.67857
26 2A1X AKG 0.00003102 0.5346 2.67857
27 2XMY CDK 0.01428 0.44876 2.67857
28 1W3T 3GR 0.002645 0.4223 2.67857
29 2C4I BTN 0.001369 0.41222 2.67857
30 4WOE ADP 0.0143 0.40249 2.67857
31 4KYS VIB 0.01348 0.40134 2.67857
32 4ZSI 4R1 0.001493 0.45275 2.92398
33 4ZSI GLP 0.009981 0.41235 2.92398
34 3EW2 BTN 0.006557 0.41178 2.96296
35 5IXH OTP 0.006671 0.45284 3.10559
36 1GP6 QUE 0.00000156 0.61985 3.125
37 1GP6 DH2 0.000001404 0.61985 3.125
38 1GP6 SIN 0.000001404 0.61985 3.125
39 1H2K OGA 0.00001733 0.54887 3.125
40 2XUM OGA 0.00002276 0.54236 3.125
41 1H2M OGA 0.00002586 0.53942 3.125
42 3W21 AKG 0.00002031 0.53511 3.125
43 3AVR OGA 0.00003163 0.53314 3.125
44 3P3N AKG 0.00003487 0.53107 3.125
45 4B7E OGA 0.0000382 0.53051 3.125
46 2Y0I AKG 0.00005711 0.52078 3.125
47 3AVS OGA 0.00005403 0.51081 3.125
48 2WA4 069 0.00003029 0.49765 3.125
49 3KV5 OGA 0.001742 0.45059 3.125
50 3OPT AKG 0.001556 0.44947 3.125
51 1OS7 TAU 0.00005194 0.44347 3.125
52 1OS7 AKG 0.00005194 0.44347 3.125
53 5FQK 6NT 0.001519 0.42442 3.125
54 5HES 032 0.01666 0.41027 3.125
55 1C3V PDC 0.01076 0.40635 3.125
56 3A23 GAL 0.01141 0.4049 3.125
57 1OFZ FUL 0.003394 0.40116 3.125
58 2D6M LBT 0.004834 0.42121 3.14465
59 4EKV BTN 0.00311 0.41126 3.14465
60 3QRC SCR 0.001248 0.42882 3.18471
61 4QRH 0O2 0.01613 0.40768 3.33333
62 5ML3 DL3 0.003085 0.46543 3.3557
63 2FCU AKG 0.00001542 0.54922 3.57143
64 5V1B 8UY 0.0002123 0.4895 3.57143
65 4EIP FAD 0.02444 0.42506 3.57143
66 5BYZ 4WE 0.02355 0.41213 3.57143
67 5UR1 YY9 0.04733 0.40606 3.57143
68 4EUO ABU 0.0108 0.4029 3.57143
69 1WBI BTN 0.002957 0.40999 3.87597
70 1SWG BTN 0.03176 0.40759 3.90625
71 4BCS BTN 0.001836 0.40836 4
72 4IGQ OGA 0.00001176 0.56205 4.01786
73 5IQT AKG 0.00004159 0.44341 4.01786
74 4IGQ THR M3L GLN 0.0002127 0.42318 4.01786
75 4D52 GIV 0.0006804 0.42005 4.01786
76 4D4U FUC GAL 0.006744 0.41515 4.01786
77 5FP3 3JI 0.0001416 0.41391 4.01786
78 5IQT 6CU 0.00009717 0.41198 4.01786
79 4G7A AZM 0.01198 0.40558 4.01786
80 4XV1 904 0.03491 0.40542 4.01786
81 1QY1 PRZ 0.0009121 0.47184 4.02299
82 4L4J NAG NAG BMA MAN NAG 0.002754 0.43591 4.0724
83 1LRH NLA 0.009878 0.40583 4.29448
84 3IT7 TLA 0.001012 0.45923 4.3956
85 4MNS 2AX 0.0373 0.41659 4.40252
86 5LY2 OGA 0.000245 0.48931 4.46429
87 2OS2 OGA 0.0002822 0.48685 4.46429
88 2YBP 2HG 0.00035 0.48259 4.46429
89 5IVE 6E8 0.001181 0.47953 4.46429
90 5FWE OGA 0.0002541 0.44763 4.46429
91 4UWJ MYA 0.03156 0.43004 4.46429
92 4UWJ 7L5 0.03156 0.43004 4.46429
93 4D06 NAR 0.01061 0.41852 4.46429
94 5DQ8 FLF 0.0167 0.41176 4.46429
95 5MBC FMN 0.01749 0.40037 4.46429
96 4Z28 BTN 0.00118 0.43689 4.47761
97 1A78 TDG 0.008388 0.40938 4.47761
98 1SBR VIB 0.01148 0.40478 4.5
99 4BVM VCA 0.0202 0.40603 4.51128
100 4QM9 CYS 0.0001587 0.4992 4.62428
101 3T50 FMN 0.0005599 0.41123 4.6875
102 5FU3 BGC BGC BGC 0.0163 0.40068 4.71698
103 2C1Q BTN 0.0001489 0.44061 4.7619
104 5FLJ QUE 0.009934 0.41995 4.83871
105 4WVW SLT 0.00202 0.44053 4.86111
106 2IUW AKG 0.0000001162 0.63747 4.91071
107 4GJY OGA 0.0000007215 0.62197 4.91071
108 3NNF AKG 0.0000007392 0.54945 4.91071
109 3PUA OGA 0.0005593 0.47115 4.91071
110 5IXJ THR 0.01665 0.41999 4.91071
111 5X7Q GLC GLC GLC BGC 0.01647 0.40722 4.91071
112 1YIQ PQQ 0.02205 0.40252 4.91071
113 2GJ5 VD3 0.0005701 0.50409 4.93827
114 2OVD DAO 0.01146 0.40656 4.94506
115 3SAO NKN 0.001486 0.41699 5
116 4JNJ BTN 0.002691 0.40519 5.21739
117 1ODM ASV 0.0000277 0.42827 5.35714
118 4N14 WR7 0.004962 0.42471 5.35714
119 3KV4 OGA 0.005132 0.42442 5.35714
120 2UZ2 BTN 0.001847 0.41139 5.38462
121 2ZSC BTN 0.00159 0.41663 5.67376
122 3H9A PPY 0.0004192 0.47507 5.80357
123 4JBL MET 0.005775 0.4194 5.80357
124 5T7I LAT NAG GAL 0.008476 0.41343 5.80645
125 1C5C TK4 0.004976 0.42524 6.07477
126 4WN5 MVC 0.003959 0.44173 6.08696
127 3H7J PPY 0.00005657 0.47647 6.25
128 3PUR 2HG 0.0008814 0.46347 6.25
129 4P42 PEE 0.004935 0.4402 6.25
130 4L3L 5FI 0.009412 0.43158 6.25
131 3N9P OGA 0.00255 0.40423 6.25
132 3N9O OGA 0.003314 0.40013 6.25
133 4IE6 UN9 0.00002338 0.40611 6.69643
134 4CCW VKC 0.01679 0.40144 6.69643
135 3E8T UQ8 0.03367 0.42337 6.81818
136 1J3R 6PG 0.001467 0.43397 6.84211
137 2GC0 PAN 0.0009074 0.41473 6.91489
138 3AGC RCC 0.001442 0.47057 7.14286
139 2ARC ARA 0.008055 0.40753 7.31707
140 1ULE GLA GAL NAG 0.001939 0.45837 7.33333
141 4QYN RTL 0.01405 0.40889 7.5188
142 4XAC AKG 0.000005799 0.53263 7.58929
143 5UQD AKG 0.0007686 0.46602 7.58929
144 2XN5 FUN 0.003728 0.41505 7.58929
145 4RLT FSE 0.0006618 0.4649 7.59494
146 4GQP B40 0.002608 0.44031 7.63052
147 1Y2F WAI 0.003883 0.43459 7.91367
148 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00001461 0.46609 7.9646
149 4BXF AKG 0.00002204 0.54136 8.03571
150 5M0T AKG 0.00003378 0.53668 8.03571
151 5FWJ MMK 0.0001095 0.49625 8.03571
152 4YRD 3IT 0.001002 0.45937 8.03571
153 4B9K TG0 0.009925 0.4032 8.18713
154 5L9B AKG 0.0000004261 0.59308 8.48214
155 5L9V OGA 0.0000004356 0.59264 8.48214
156 4LIT AKG 0.00005812 0.52208 8.48214
157 5A3T MMK 0.0002178 0.51748 8.48214
158 4P7X YCP 0.0001136 0.51 8.48214
159 4P7X AKG 0.0001136 0.51 8.48214
160 5I0F GLC GLC 0.0208 0.4004 8.92857
161 5U98 1KX 0.02607 0.43157 9.09091
162 1FDQ HXA 0.03415 0.40126 9.16031
163 4H6B 10X 0.001921 0.43715 9.23077
164 4H6B 10Y 0.002203 0.42572 9.23077
165 3HQR OGA 0.0000001064 0.60173 9.375
166 4BQY FNT 0.0000003706 0.51721 9.375
167 4JZR 4JR 0.0002545 0.47885 9.72222
168 4OMJ 2TX 0.02383 0.41418 9.82143
169 5DJT FMN 0.007323 0.42295 9.83607
170 4CCN OGA 0.00001188 0.55703 10.7143
171 4Y3O OGA 0.00001835 0.54629 10.7143
172 4CCK OGA 0.00002185 0.54146 10.7143
173 1EX7 5GP 0.00948 0.40885 10.7527
174 1EPB REA 0.001346 0.41 11.5854
175 4QXB OGA 0.002507 0.43166 11.7647
176 1I7M PUT 0.006024 0.4046 11.9403
177 3SCH TB6 0.001905 0.41233 12.1212
178 4AIA ADK 0.01586 0.40446 12.234
179 2ET1 GLV 0.0007148 0.4666 12.4378
180 3ACL 3F1 0.001078 0.41525 12.5
181 4GGZ BTN 0.0005947 0.43996 13.913
182 4OCT AKG 0.000001657 0.56645 14.4144
183 5I8T LAC 0.0008961 0.44679 15.6425
184 5TFZ 7BC 0.0003814 0.47051 16
185 4XIZ LPP 0.03675 0.40424 18.5714
186 4CCO OGA 0.0001177 0.50201 18.75
187 4UF0 MMK 0.002508 0.43698 19.1964
188 3MTX PGT 0.04616 0.40205 21.1921
189 4J25 OGA 0.000000000923 0.76016 22.2707
190 5EPA AKG 0.00004163 0.50807 24.5536
191 3ZW2 NAG GAL FUC 0.005777 0.42181 33.3333
192 3ZW2 GAL FUC 0.005396 0.42092 33.3333
193 3ZW0 FUC 0.01096 0.40768 33.3333
194 5C5T AKG 0.000000001857 0.72279 42.8571
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