Receptor
PDB id Resolution Class Description Source Keywords
1HJ6 2 Å EC: 1.1.1.42 ISOCITRATE DEHYDROGENASE S113E MUTANT COMPLEXED WITH ISOPROPYLMALATE, NADP+ AND MAGNESIUM (FLASH-COOLED) ESCHERICHIA COLI OXIDOREDUCTASE OXIDOREDUCTASE (NAD(A)-CHOH(D)) NADP PHOSPHORYLATION GLYOXYLATE BYPASS
Ref.: STRUCTURAL BASIS FOR A CHANGE IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF S113E ISOCITRATE DEHYDROGENASE IN A COMPLEX WITH ISOPROPYLMALATE, MG2+ AND NADP BIOCHEMISTRY V. 40 4234 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1417;
A:1418;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
IPM A:1419;
 Valid;
 none;
 submit data
176.167 C7 H12 O5 CC(C)...
MG A:1421;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
NAP A:1420;
 Valid;
 none;
 submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GRO 2.5 Å EC: 1.1.1.42 REGULATORY AND CATALYTIC MECHANISMS IN ESCHERICHIA COLI ISOC DEHYDROGENASE: MULTIPLE ROLES FOR N115 ESCHERICHIA COLI OXIDOREDUCTASE NADP PHOSPHORYLATION GLYOXYLATE BYPASS OXIDOREDUCTASE (NAD(A)-CHOH(D))
Ref.: SECOND-SITE SUPPRESSION OF REGULATORY PHOSPHORYLATI ESCHERICHIA COLI ISOCITRATE DEHYDROGENASE. PROTEIN SCI. V. 5 287 1996
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
22 1HQS - CIT C6 H8 O7 C(C(=O)O)C....
23 2D4V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PB1 - ICT C6 H8 O7 C([C@@H]([....
2 5ICD - ICT C6 H8 O7 C([C@@H]([....
3 1P8F - ICT C6 H8 O7 C([C@@H]([....
4 4AJB - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
5 1CW4 - AKG C5 H6 O5 C(CC(=O)O)....
6 4AJC - AKG C5 H6 O5 C(CC(=O)O)....
7 4AJS - ICT C6 H8 O7 C([C@@H]([....
8 1BL5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1GRP Ki = 0.189 mM ICT C6 H8 O7 C([C@@H]([....
10 9ICD Kd = 125 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4AJ3 - ICT C6 H8 O7 C([C@@H]([....
12 4AJA - ICT C6 H8 O7 C([C@@H]([....
13 1AI3 Ki = 403 uM NDO C21 H27 N6 O18 P3 c1cc(c[n+]....
14 1ISO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4BNP Ki = 96 uM ICT C6 H8 O7 C([C@@H]([....
16 1CW1 - ICT C6 H8 O7 C([C@@H]([....
17 1GRO Ki = 0.033 uM ICT C6 H8 O7 C([C@@H]([....
18 1IDE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1HJ6 - IPM C7 H12 O5 CC(C)[C@@H....
20 1AI2 Ki = 2.7 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 8ICD - ICT C6 H8 O7 C([C@@H]([....
22 1HQS - CIT C6 H8 O7 C(C(=O)O)C....
23 2D4V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1XKD - ICT C6 H8 O7 C([C@@H]([....
25 1TYO - ENP C17 H24 N5 O17 P3 c1cn2cnc3c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IPM; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 IPM 1 1
2 TLA 0.47619 0.8
3 TAR 0.47619 0.8
4 SRT 0.47619 0.8
5 LAC 0.47619 0.631579
6 2OP 0.47619 0.631579
7 LFC 0.428571 0.789474
8 GAE 0.416667 0.8
9 RAT 0.416667 0.8
10 LGT 0.416667 0.8
11 DXX 0.409091 0.7
12 3LR 0.4 0.625
Ligand no: 2; Ligand: NAP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: IPM; Similar ligands found: 350
No: Ligand Similarity coefficient
1 CDV 0.9343
2 ICT 0.9274
3 P4B 0.9239
4 CIT 0.9222
5 OEM 0.9199
6 FLC 0.9191
7 TRA 0.9182
8 2PG 0.9175
9 ATH 0.9157
10 QIC 0.9152
11 SIF 0.9143
12 4P0 0.9136
13 NFQ 0.9130
14 NTM 0.9128
15 9PY 0.9126
16 GTQ 0.9116
17 FRU 0.9104
18 7A3 0.9092
19 NCD 0.9087
20 7A2 0.9086
21 MLE 0.9079
22 SKG 0.9064
23 GLA 0.9056
24 23J 0.9055
25 GLC 0.9049
26 BGC 0.9049
27 QM1 0.9043
28 LSA 0.9041
29 TRC 0.9040
30 329 0.9036
31 BDP 0.9036
32 ENL 0.9034
33 FB1 0.9028
34 6CS 0.9025
35 PHT 0.9021
36 G5V 0.9015
37 GAL 0.9011
38 RNT 0.9009
39 KDF 0.9008
40 IP0 0.9007
41 NTC 0.9003
42 54G 0.9002
43 1AL 0.9000
44 RMN 0.8999
45 SLC 0.8997
46 5RG 0.8996
47 149 0.8992
48 GLU 0.8991
49 3SK 0.8989
50 SOE 0.8983
51 FBV 0.8979
52 LCN 0.8976
53 7N0 0.8963
54 PEP 0.8962
55 XAN 0.8958
56 SDD 0.8958
57 GTR 0.8957
58 MCO 0.8955
59 NOJ 0.8953
60 6M4 0.8951
61 PEZ 0.8950
62 PAF 0.8950
63 BE2 0.8949
64 JKE 0.8945
65 AFR 0.8943
66 PRZ 0.8942
67 92K 0.8940
68 KLW 0.8939
69 XSP 0.8935
70 6JN 0.8930
71 4TE 0.8928
72 2AL 0.8925
73 EVA 0.8924
74 G3F 0.8922
75 GUN 0.8919
76 SC2 0.8917
77 MEV 0.8916
78 3U4 0.8911
79 GCB 0.8910
80 SPV 0.8907
81 URQ 0.8906
82 SF6 0.8904
83 G2F 0.8904
84 KBG 0.8903
85 2FG 0.8903
86 FA1 0.8902
87 5M0 0.8901
88 DOR 0.8901
89 5CU 0.8900
90 SAL 0.8895
91 AVI 0.8894
92 MAN 0.8886
93 IFM 0.8883
94 AOS 0.8882
95 HHT 0.8881
96 5ZZ 0.8881
97 XXP 0.8880
98 4CS 0.8879
99 ADA 0.8875
100 GAF 0.8875
101 FOC 0.8874
102 TMH 0.8874
103 GOG 0.8869
104 948 0.8868
105 K6H 0.8868
106 ILE 0.8866
107 SF9 0.8865
108 2TQ 0.8864
109 IT9 0.8861
110 IFL 0.8861
111 LGC 0.8860
112 GM7 0.8859
113 CCB 0.8858
114 ALL 0.8856
115 ES6 0.8854
116 8S0 0.8854
117 7D2 0.8851
118 B0D 0.8849
119 GCU 0.8849
120 DHK 0.8848
121 091 0.8848
122 FUC 0.8847
123 FA3 0.8846
124 IPB 0.8845
125 DHS 0.8842
126 OAF 0.8842
127 KBB 0.8841
128 PSJ 0.8841
129 GCS 0.8841
130 DOB 0.8841
131 DQA 0.8839
132 0MK 0.8839
133 GLN 0.8837
134 PSV 0.8833
135 XUL 0.8832
136 AZF 0.8831
137 FPK 0.8829
138 ASP 0.8828
139 BDF 0.8827
140 94B 0.8827
141 MIC 0.8826
142 H62 0.8826
143 5HY 0.8825
144 X6X 0.8825
145 FCB 0.8825
146 CRN 0.8824
147 HHA 0.8824
148 MLT 0.8819
149 N7P 0.8819
150 FA0 0.8819
151 ASO 0.8815
152 XLS 0.8814
153 RNS 0.8811
154 RM4 0.8811
155 HIO 0.8810
156 IOM 0.8809
157 2H5 0.8808
158 INS 0.8808
159 8WQ 0.8807
160 ITN 0.8806
161 261 0.8805
162 EYK 0.8805
163 ASC 0.8803
164 GXL 0.8802
165 G8M 0.8802
166 NHC 0.8802
167 SYG 0.8801
168 OHP 0.8801
169 2CG 0.8797
170 GYE 0.8794
171 QDK 0.8794
172 ZXD 0.8794
173 9TZ 0.8793
174 LFR 0.8789
175 1LN 0.8787
176 5AC 0.8786
177 E7Z 0.8786
178 RIP 0.8785
179 GIF 0.8784
180 1P3 0.8784
181 G4D 0.8784
182 60Q 0.8783
183 N8P 0.8782
184 FUD 0.8781
185 4SV 0.8780
186 LRH 0.8779
187 GTL 0.8777
188 AHR 0.8776
189 5MK 0.8775
190 VPR 0.8775
191 YIO 0.8774
192 AI2 0.8772
193 9TY 0.8770
194 WOO 0.8769
195 6LW 0.8767
196 VNJ 0.8767
197 SX1 0.8765
198 IFP 0.8764
199 3C7 0.8761
200 SVJ 0.8759
201 SJ5 0.8759
202 HMU 0.8757
203 24B 0.8757
204 RAM 0.8757
205 RB0 0.8755
206 PPR 0.8755
207 OAA 0.8754
208 BFM 0.8753
209 0LH 0.8752
210 GBN 0.8752
211 X1E 0.8750
212 3MV 0.8749
213 T9G 0.8748
214 DGJ 0.8748
215 DBX 0.8747
216 ASN 0.8746
217 DZX 0.8742
218 RIB 0.8742
219 MBG 0.8741
220 3IT 0.8741
221 BHA 0.8739
222 AVJ 0.8738
223 PZI 0.8736
224 G2H 0.8729
225 PBE 0.8728
226 ISD 0.8728
227 HJP 0.8727
228 3BU 0.8726
229 4PW 0.8724
230 4RW 0.8724
231 SEP 0.8724
232 HYA 0.8722
233 AH8 0.8719
234 3DO 0.8718
235 PAV 0.8717
236 FX1 0.8716
237 4NG 0.8716
238 1AB 0.8716
239 DFU 0.8715
240 95Z 0.8715
241 NLQ 0.8712
242 1GN 0.8712
243 4M0 0.8710
244 P22 0.8707
245 ROR 0.8707
246 X09 0.8705
247 5DI 0.8704
248 SHA 0.8702
249 GLO 0.8701
250 AKG 0.8700
251 1WD 0.8699
252 HY3 0.8698
253 2AS 0.8697
254 CIZ 0.8696
255 FUL 0.8696
256 OXZ 0.8694
257 QAS 0.8694
258 BCU 0.8693
259 DMJ 0.8691
260 AGK 0.8690
261 8EZ 0.8687
262 40F 0.8685
263 CNL 0.8684
264 SKM 0.8680
265 XXR 0.8678
266 1U5 0.8676
267 V6F 0.8674
268 TAG 0.8673
269 MZB 0.8673
270 R1X 0.8673
271 R2B 0.8673
272 SOR 0.8672
273 ZZT 0.8672
274 GTZ 0.8670
275 DS0 0.8669
276 3OC 0.8669
277 LMR 0.8668
278 XYL 0.8666
279 RB5 0.8666
280 AZA 0.8665
281 2XX 0.8665
282 2C2 0.8664
283 3CU 0.8663
284 TNE 0.8662
285 IF7 0.8661
286 CDT 0.8657
287 DAS 0.8655
288 8EW 0.8654
289 TPO 0.8654
290 HDL 0.8652
291 3PO 0.8649
292 IMR 0.8649
293 FUB 0.8647
294 GZQ 0.8645
295 NXA 0.8643
296 DII 0.8641
297 AHB 0.8640
298 7WV 0.8638
299 Z6J 0.8636
300 ARW 0.8636
301 XYS 0.8635
302 15L 0.8635
303 CN0 0.8635
304 51F 0.8632
305 EKN 0.8630
306 MFU 0.8624
307 CMS 0.8623
308 EHM 0.8623
309 COI 0.8620
310 911 0.8617
311 J01 0.8617
312 6XI 0.8615
313 GOO 0.8615
314 PPK 0.8613
315 TH7 0.8612
316 GZ8 0.8609
317 AHD 0.8608
318 ARA 0.8605
319 ICF 0.8605
320 3XX 0.8604
321 RM1 0.8599
322 CGB 0.8599
323 GAG 0.8598
324 THE 0.8598
325 MVL 0.8594
326 PTO 0.8592
327 HA7 0.8591
328 FUF 0.8589
329 RUU 0.8589
330 GLY ASP 0.8581
331 NK2 0.8576
332 GIV 0.8575
333 293 0.8574
334 PCA 0.8572
335 KOJ 0.8570
336 OGA 0.8569
337 KP6 0.8567
338 98J 0.8564
339 MRZ 0.8562
340 AC5 0.8561
341 F12 0.8558
342 4XR 0.8546
343 VAH 0.8544
344 L3Q 0.8542
345 TZE 0.8537
346 NSP 0.8535
347 1U1 0.8534
348 DGL 0.8526
349 GLY CYS 0.8525
350 2DR 0.8518
Ligand no: 2; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GRO; Ligand: ICT; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1gro.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 5HN6 IPM 43.0595
2 4Y1P IPM 45.1039
3 4Y1P IPM 45.1039
Pocket No.: 2; Query (leader) PDB : 1GRO; Ligand: ICT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1gro.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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