Receptor
PDB id Resolution Class Description Source Keywords
1K97 2 Å EC: 6.3.4.5 CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ASPARTATE AND CITRULLINE ESCHERICHIA COLI N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.: THE 1.6 A CRYSTAL STRUCTURE OF E. COLI ARGININOSUCC SYNTHETASE SUGGESTS A CONFORMATIONAL CHANGE DURING CATALYSIS. STRUCTURE V. 9 1153 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:501;
Valid;
none;
submit data
133.103 C4 H7 N O4 C([C@...
CIR A:502;
Valid;
none;
submit data
175.186 C6 H13 N3 O3 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K97 2 Å EC: 6.3.4.5 CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ASPARTATE AND CITRULLINE ESCHERICHIA COLI N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.: THE 1.6 A CRYSTAL STRUCTURE OF E. COLI ARGININOSUCC SYNTHETASE SUGGESTS A CONFORMATIONAL CHANGE DURING CATALYSIS. STRUCTURE V. 9 1153 2001
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Ligand no: 2; Ligand: CIR; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 CIR 1 1
2 DAR 0.735294 0.763158
3 ARG 0.735294 0.763158
4 ILO 0.631579 0.675
5 ONH 0.6 0.619048
6 HAR 0.6 0.681818
7 4JK 0.6 0.725
8 VUR 0.6 0.7
9 WT2 0.585366 0.783784
10 PAO 0.571429 0.615385
11 DA2 0.571429 0.617021
12 3AR 0.571429 0.690476
13 2YH 0.55814 0.810811
14 3KJ 0.55814 0.6
15 VIO 0.55814 0.627907
16 1KJ 0.545455 0.652174
17 JM2 0.545455 0.636364
18 AAR 0.540541 0.675
19 2YJ 0.533333 0.769231
20 RPI 0.533333 0.627451
21 API 0.53125 0.685714
22 LN6 0.521739 0.627907
23 ALY 0.512195 0.74359
24 HRG 0.512195 0.763158
25 JM7 0.510638 0.636364
26 JM8 0.510204 0.622222
27 2KJ 0.5 0.638298
28 AS1 0.5 0.738095
29 D20 0.5 0.652174
30 OLN 0.488372 0.894737
31 ORN 0.485714 0.735294
32 JM4 0.48 0.608696
33 JM6 0.48 0.608696
34 MLZ 0.475 0.634146
35 JM5 0.470588 0.622222
36 UN1 0.459459 0.638889
37 11C 0.459459 0.638889
38 DLY 0.459459 0.714286
39 DHH 0.447368 0.621622
40 LYS 0.447368 0.694444
41 0TF 0.4375 0.769231
42 NPI 0.435897 0.621622
43 2YG 0.428571 0.769231
44 LBY 0.428571 0.688889
45 6CL 0.425 0.666667
46 5CT 0.416667 0.658537
47 HSE 0.411765 0.605263
48 DAB 0.411765 0.666667
49 HCS 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1K97; Ligand: ASP; Similar sites found: 295
This union binding pocket(no: 1) in the query (biounit: 1k97.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.003655 0.48472 None
2 1C4Q GLA GAL BGC 0.03298 0.40464 None
3 3AIQ HBO 0.0002557 0.41434 1.0989
4 4PNI KQQ 0.01593 0.40225 1.0989
5 1SAY PYR 0.00001507 0.40036 1.38504
6 4P4T GDP 0.008237 0.42764 1.38889
7 3PLN U5P 0.00383 0.47199 1.41509
8 1RZM E4P 0.003346 0.49339 1.47929
9 1RZM PEP 0.002132 0.48441 1.47929
10 4E28 9MZ 0.01157 0.45874 1.53846
11 2YP9 SIA CMO 0.002939 0.45178 1.53846
12 4E28 0MZ 0.02102 0.44031 1.53846
13 4LH7 1X8 0.03205 0.41958 1.54799
14 2PHW MAN MAN 0.02233 0.42511 1.5873
15 2PHR MAN MAN 0.02459 0.42281 1.5873
16 2GND MAN MMA 0.02526 0.42217 1.5873
17 5T63 ALA ALA ALA ALA 0.02427 0.40027 1.63488
18 1JQN DCO 0.0003003 0.43974 1.75824
19 3I8P 840 0.01309 0.42591 1.75824
20 3IAE D7K 0.005817 0.40343 1.75824
21 3I0O ADP 0.006496 0.45126 1.76991
22 1Z44 FMN 0.03453 0.41075 1.77515
23 1Z41 FMN 0.04513 0.40258 1.77515
24 1RYD GLC 0.01565 0.43685 1.80879
25 1VL8 NAP 0.001311 0.41952 1.87266
26 3D2Y AH0 ALA FGA LYS 0.02583 0.40718 1.91571
27 1SQ5 ADP 0.007844 0.44324 1.94805
28 1SQ5 PAU 0.02582 0.43136 1.94805
29 1V5F FAD 0.00000205 0.42591 1.97802
30 1V5F TPP 0.00000205 0.42591 1.97802
31 4DYO SD4 0.02914 0.42472 1.97802
32 1YBH FAD 0.0000002327 0.41484 1.97802
33 3HYW DCQ 0.04382 0.40956 2.09302
34 1I0Z OXM 0.01571 0.47018 2.1021
35 1I0Z NAI 0.006245 0.40469 2.1021
36 1V6A TRE 0.0232 0.43814 2.10843
37 3IPQ 965 0.007537 0.40195 2.12014
38 2BJF DXC 0.0001344 0.42882 2.12766
39 1MZV AMP 0.03611 0.41657 2.12766
40 1T26 NAI 0.00000001304 0.44055 2.17391
41 1T26 GBD 0.00000001304 0.44055 2.17391
42 4WVH ASP HIS ASP ALA HIS ALA 0.02271 0.42992 2.1978
43 1NYT NAP 0.0141 0.40178 2.21402
44 2JBH 5GP 0.03781 0.41927 2.22222
45 2QCX PF1 0.01751 0.44434 2.28137
46 4Q3S X7A 0.001398 0.43349 2.33766
47 4IMG NGF 0.005743 0.43071 2.38908
48 2C9O ADP 0.0004164 0.43807 2.41758
49 2IZ1 ATR 0.03426 0.4341 2.41758
50 1RM0 D6P 0.0002074 0.40818 2.41758
51 1V8K ANP 0.00002711 0.47984 2.43902
52 1XE7 GUN 0.006701 0.4915 2.46305
53 2F2U M77 0.03694 0.41611 2.48756
54 1UNB AKG 0.0002133 0.41979 2.57235
55 1I2L DCS 0.01574 0.41311 2.60223
56 3DER ALA LYS 0.001855 0.44674 2.6087
57 2WL9 MBD 0.00005237 0.49369 2.62295
58 4RJK PYR 0.005703 0.51371 2.63736
59 4RJK TPP 0.003682 0.41744 2.63736
60 4RJK TDL 0.003255 0.41415 2.63736
61 1P3D ANP 0.01948 0.40032 2.63736
62 2Q09 DI6 0.04588 0.4152 2.64423
63 4KWI NAP 0.00007928 0.43773 2.6616
64 4KWI 1TJ 0.00009252 0.43327 2.6616
65 1EB9 HBA 0.03238 0.4153 2.67176
66 2Q8H TF4 0.01642 0.46907 2.7027
67 4M5P MLA 0.02677 0.46377 2.7027
68 4TMK T5A 0.00000303 0.40932 2.8169
69 1L8N GCW 0.02036 0.40072 2.85714
70 3BBH SFG 0.02484 0.40119 2.92683
71 2GGH NLQ 0.00005695 0.45619 2.93333
72 4L7I SAM 0.0323 0.40597 2.9484
73 1KQP ADJ 0.003055 0.40174 2.95203
74 4L6C 0BT 0.008655 0.41757 2.9703
75 4GZP G39 0.0003879 0.42079 3.05344
76 3NFZ 3NF 0.008998 0.44055 3.0581
77 3L02 SN0 0.00128 0.42238 3.06407
78 3L02 CP 0.00128 0.42238 3.06407
79 3QV9 QV7 0.01232 0.45206 3.07692
80 2AHR NAP 0.006413 0.40204 3.0888
81 4QCK ASD 0.002141 0.43137 3.10881
82 2I7C AAT 0.004445 0.40275 3.18021
83 1FX8 BOG 0.0000618 0.52001 3.20285
84 1V7R CIT 0.03406 0.45744 3.22581
85 1OYB FMN 0.01298 0.40811 3.25
86 1OYB HBA 0.0103 0.40427 3.25
87 4FUA PGH 0.000008091 0.51406 3.25581
88 2ZO9 MLI 0.003677 0.46036 3.28467
89 2XDQ MGX 0.01965 0.46456 3.2967
90 1A8S PPI 0.01049 0.43954 3.2967
91 1W7J ADP BEF 0.001876 0.45797 3.31126
92 1ONX ASP 0.0001488 0.46938 3.33333
93 1YBQ BDH 0.0001118 0.44727 3.33333
94 1CKM GTP 0.03288 0.4222 3.33333
95 1AL8 FMN 0.00002319 0.42911 3.34262
96 1AL8 DHP 0.000001813 0.42569 3.34262
97 3ZPG 5GP 0.02207 0.46165 3.40314
98 2ET1 GLV 0.0004393 0.42163 3.48259
99 3QUR ADP 0.005108 0.40528 3.4965
100 3QUR FM4 0.005108 0.40528 3.4965
101 1WGC SIA GAL BGC 0.04684 0.44903 3.50877
102 2GN2 C5P 0.002485 0.45285 3.51648
103 3JQ3 ADP 0.003844 0.45661 3.55191
104 1QO0 BMD 0.02612 0.44029 3.57143
105 3MAG 3MA 0.005063 0.50713 3.58306
106 3MAG SAH 0.00323 0.44073 3.58306
107 5AYC BGC BMA 0.01359 0.40608 3.62694
108 3SHR CMP 0.003077 0.46628 3.67893
109 4IEN COA 0.001237 0.42286 3.68098
110 4IEN GDP 0.009375 0.40102 3.68098
111 1XNG ATP 0.0005405 0.47553 3.73134
112 2Q28 ADP 0.006137 0.42955 3.73626
113 2YKL NLD 0.0301 0.40667 3.73626
114 2FH5 GTP 0.0000876 0.42893 3.78378
115 2QQ0 ADP 0.005646 0.40385 3.80435
116 2QQ0 TMP 0.005646 0.40385 3.80435
117 3VOZ 04A 0.006681 0.43484 3.80952
118 2Q37 3AL 0.008481 0.46023 3.8674
119 4L1F COS 0.006009 0.42072 3.91645
120 4F4S EFO 0.02866 0.42912 3.94737
121 1KTC NGA 0.03938 0.42227 3.95062
122 1KY8 NAP 0.00000003386 0.41353 3.95604
123 1E5F PLP 0.02983 0.41043 3.9604
124 4DEC UDP 0.001264 0.43653 4.06977
125 4DEC 3PG 0.001264 0.43653 4.06977
126 4KCT FDP 0.004764 0.45301 4.17582
127 4KCT PYR 0.0133 0.44103 4.17582
128 1VKO NAD 0.000001178 0.42044 4.17582
129 2BH9 NAP 0.03551 0.40714 4.17582
130 4JWX 1N4 0.04373 0.42001 4.28571
131 2WA4 069 0.01614 0.42907 4.29799
132 3P3N AKG 0.04825 0.42624 4.29799
133 1U5R ATP 0.002245 0.45882 4.31034
134 3WSJ MK1 0.00003963 0.42816 4.31034
135 2C5S AMP 0.00007957 0.55051 4.35835
136 1WKL ADP 0.0002635 0.42077 4.37956
137 1WKL ATP 0.01246 0.42025 4.37956
138 1PJ6 FOL 0.00002475 0.44353 4.3956
139 1VE3 SAM 0.01469 0.41431 4.40529
140 3B1J NAD 0.006399 0.40434 4.42478
141 2YY8 MTA 0.01703 0.41928 4.47761
142 3TI8 LNV 0.00001901 0.45804 4.55696
143 1NJR XYL 0.002659 0.42234 4.57746
144 1WDA BAG 0.03832 0.41898 4.61538
145 1GQY ACP 0.02034 0.4085 4.61538
146 1MVQ MMA 0.002552 0.41517 4.66102
147 1P1M MET 0.008616 0.41764 4.6798
148 1QD0 RR6 0.01003 0.43841 4.6875
149 3E8N ATP 0.0001582 0.42446 4.69208
150 3E8N VRA 0.0001582 0.42446 4.69208
151 2ORV 4TA 0.008717 0.41194 4.70085
152 1TV5 ORO 0.002249 0.4567 4.74041
153 1TV5 FMN 0.00001813 0.45274 4.74041
154 1TV5 N8E 0.002492 0.44893 4.74041
155 1TV5 A26 0.009605 0.41582 4.74041
156 2QV7 ADP 0.03741 0.40615 4.74777
157 3ESS 18N 0.03038 0.41424 4.78261
158 1QZZ SAM 0.006852 0.44185 4.81283
159 1Y42 TYR 0.005143 0.46574 4.84694
160 3P7I P7I 0.003002 0.47715 4.98442
161 4G1V FAD 0.000002616 0.40271 5.01253
162 4A8H PUW 0.0003445 0.44519 5.07042
163 3A2Y TS5 0.03185 0.40623 5.07614
164 3OYZ ACO 0.00006638 0.44968 5.08083
165 3NKT 1HN 0.009669 0.40524 5.16304
166 1J2Z SOG 0.01816 0.41815 5.18518
167 1TUV VK3 0.04883 0.44155 5.26316
168 3OCZ SRA 0.03206 0.40611 5.34351
169 1X1T NAD 0.000000004033 0.43669 5.38462
170 2RH4 EMO 0.0006678 0.40145 5.41516
171 3HAZ FAD 0.0006484 0.43468 5.49451
172 3HAZ NAD 0.003619 0.41261 5.49451
173 2WSI FAD 0.001998 0.44182 5.55556
174 1SJW NGV 0.008448 0.4341 5.55556
175 4QN6 LNV 0.00002035 0.46334 5.6266
176 1QKQ MAN 0.00454 0.45088 5.6338
177 1Q11 TYE 0.03271 0.42628 5.64516
178 2Y7G AAE 0.001233 0.46998 5.67376
179 1Y9Q MED 0.04485 0.42792 5.72917
180 3DGB MUC 0.000004321 0.40589 5.75916
181 2PP3 LGT 0.02891 0.41419 5.77889
182 4PVV HO4 0.0009565 0.41185 5.8642
183 1SS4 CIT 0.002766 0.52086 5.88235
184 1SS4 GSH 0.01398 0.4906 5.88235
185 3O2K DST 0.02297 0.43386 5.93407
186 1ZK4 AC0 0.000000131 0.41495 5.9761
187 1ZK4 NAP 0.000000131 0.41495 5.9761
188 3RO7 TDR 0.000001187 0.40847 6.03774
189 3B9Z CO2 0.03236 0.40616 6.18557
190 3TFC PEP 0.00448 0.46866 6.23377
191 4K30 NLG 0.02483 0.4322 6.25
192 1A5Z OXM 0.00008318 0.58941 6.26959
193 1A5Z FBP 0.001074 0.45988 6.26959
194 1A5Z NAD 0.00000995 0.44311 6.26959
195 3QDT A2G GAL 0.005889 0.48713 6.29371
196 5UDS ATP 0.01365 0.48137 6.29371
197 2WMO GTP 0.01888 0.42241 6.31579
198 3KJQ B94 0.02947 0.41716 6.31579
199 1FW1 GSH 0.01492 0.42694 6.48148
200 1XVA SAM 0.03236 0.40044 6.50685
201 3DG6 MUC 0.002451 0.46148 6.53951
202 1EDO NAP 0.00000005913 0.41834 6.55738
203 2C2A ADP 0.03369 0.40519 6.58915
204 3NOJ PYR 0.0008953 0.50599 6.72269
205 1Y75 NAG 0.007729 0.45227 6.77966
206 2PR5 FMN 0.006167 0.4328 6.81818
207 3FIU AMP 0.004518 0.45298 6.82731
208 3FIU POP 0.02022 0.43323 6.82731
209 4RLE 2BA 0.006294 0.4001 6.83761
210 1B63 ANP 0.01988 0.40363 6.90691
211 2QS8 MET 0.04344 0.40539 6.9378
212 1CFV E3G 0.0004625 0.45537 7.07965
213 2R5V HHH 0.03852 0.40117 7.28291
214 1ECM TSA 0.005846 0.45804 7.33945
215 2G30 ALA ALA PHE 0.0004229 0.47774 7.36434
216 1Y0L HAN 0.01305 0.48254 7.40741
217 3I51 45C 0.003225 0.46065 7.40741
218 3UEC ALA ARG TPO LYS 0.01406 0.45998 7.53425
219 1BTN I3P 0.02745 0.46973 7.54717
220 1GT4 UNA 0.009498 0.42458 7.54717
221 1BGV GLU 0.000759 0.41476 7.57238
222 1RHC F42 ACN 0.005362 0.4069 7.57576
223 1UF5 CDT 0.01089 0.44086 7.59076
224 1F1V DHY 0.02026 0.4323 7.73994
225 1JGT CMA 0.0009261 0.43055 7.91209
226 1JGT APC 0.001069 0.42538 7.91209
227 1VCE SAH 0.01867 0.40408 7.92453
228 2QTR NXX 0.002252 0.41696 7.93651
229 4M51 BEZ 0.01265 0.4687 7.96253
230 2NU8 COA 0.006722 0.41084 7.98611
231 1E1O LYS 0.001074 0.44217 8.13187
232 2Z5Y HRM 0.01815 0.42571 8.13187
233 5A2J ALA PRO ASP THR ARG PRO 0.03601 0.44622 8.19672
234 2EJU SAH 0.01148 0.42172 8.20106
235 3ALN ANP 0.03025 0.41009 8.25688
236 1XIU REA 0.04287 0.40073 8.26087
237 4KOA NDP 0.03813 0.4029 8.40841
238 4ORR PE3 0.005217 0.41741 8.42105
239 1ZJ6 G3D 0.0163 0.42886 8.55615
240 1XL8 152 0.04679 0.40869 8.57143
241 3NGU ADP 0.002265 0.46298 8.60927
242 1M9H NAD 0.01057 0.40151 8.63309
243 2P8B NSK 0.000003594 0.4062 8.67209
244 1N9L FMN 0.004802 0.43726 9.17431
245 1GEE NAD 0.008153 0.40081 9.1954
246 3F81 STT 0.017 0.46821 9.28962
247 4IXW IXW 0.0294 0.42453 9.44882
248 3A1I UNU 0.04521 0.41197 9.45055
249 1EYE PMM 0.02214 0.42283 9.64286
250 1FNZ A2G 0.0009417 0.45454 9.70464
251 3VGL BGC 0.0001812 0.45935 9.96885
252 3VGL ANP 0.00008562 0.44498 9.96885
253 3OQJ 3CX 0.04329 0.40928 10.1167
254 1HV9 UD1 0.001179 0.42353 10.3297
255 1FWY UD1 0.004874 0.40368 10.3297
256 3RF4 FUN 0.01495 0.44305 10.3448
257 4FK7 P34 0.04363 0.41161 10.4803
258 1D8C GLV 0.0395 0.43172 10.5495
259 4R38 RBF 0.01424 0.40656 10.7143
260 3JYY PPV 0.01282 0.44299 10.8014
261 3LTW HLZ 0.03246 0.43533 11.0714
262 1GR0 NAD 0.0000007303 0.4014 11.1717
263 1ULE GLA GAL NAG 0.02379 0.4534 11.3333
264 3UC5 ATP 0.00004202 0.40799 11.465
265 43CA NPO 0.01768 0.48646 11.5044
266 3DUR KDO 0.0335 0.42576 11.6071
267 1I2B USQ 0.0000108 0.40453 11.8812
268 1I2B UPG 0.0000108 0.40453 11.8812
269 1I2B NAD 0.0000108 0.40453 11.8812
270 3CF6 SP1 0.009898 0.43114 11.976
271 2WLT ASP 0.0001324 0.46399 12.3494
272 4BPM GSH 0.0106 0.40627 12.3596
273 1F3L SAH 0.005502 0.42513 12.4611
274 2P2V CSF 0.000001938 0.45511 12.967
275 1EXB NDP 0.0000004321 0.40431 13.253
276 3KMT SAH 0.009747 0.4351 13.4454
277 3EAU NDP 0.0000004619 0.41073 13.4557
278 3EAU PDN 0.0000004619 0.41073 13.4557
279 4M4Q 21A 0.01197 0.40684 13.6929
280 2IYG FMN 0.04518 0.40866 13.7097
281 1YRX FMN 0.03145 0.41257 14.0496
282 2FYU FDN 0.0147 0.4173 14.1026
283 4PTZ FMN 0.02238 0.41273 14.1361
284 2E1A MSE 0.04395 0.4161 14.6667
285 1XX4 BAM 0.001037 0.50283 15.3257
286 2IBN I1N 0.04864 0.40273 15.6
287 1GPM AMP 0.0008204 0.50131 15.8242
288 4CCO OGA 0.01887 0.43808 15.8242
289 2O66 FLC 0.01488 0.4479 16.2963
290 2FR6 CTN 0.01199 0.42094 16.4384
291 2FR6 URI 0.0176 0.41407 16.4384
292 4PNO U5P 0.01081 0.43312 19.4444
293 1UGX GAL MGC 0.00007861 0.47169 20
294 1K27 MTM 0.0008291 0.42845 21.5548
295 1YOA FAD 0.01526 0.40807 29.5597
Pocket No.: 2; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found: 295
This union binding pocket(no: 2) in the query (biounit: 1k97.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.003655 0.48472 None
2 1C4Q GLA GAL BGC 0.03298 0.40464 None
3 3AIQ HBO 0.0002557 0.41434 1.0989
4 4PNI KQQ 0.01593 0.40225 1.0989
5 1SAY PYR 0.00001507 0.40036 1.38504
6 4P4T GDP 0.008237 0.42764 1.38889
7 3PLN U5P 0.00383 0.47199 1.41509
8 1RZM E4P 0.003346 0.49339 1.47929
9 1RZM PEP 0.002132 0.48441 1.47929
10 4E28 9MZ 0.01157 0.45874 1.53846
11 2YP9 SIA CMO 0.002939 0.45178 1.53846
12 4E28 0MZ 0.02102 0.44031 1.53846
13 4LH7 1X8 0.03205 0.41958 1.54799
14 2PHW MAN MAN 0.02233 0.42511 1.5873
15 2PHR MAN MAN 0.02459 0.42281 1.5873
16 2GND MAN MMA 0.02526 0.42217 1.5873
17 5T63 ALA ALA ALA ALA 0.02427 0.40027 1.63488
18 1JQN DCO 0.0003003 0.43974 1.75824
19 3I8P 840 0.01309 0.42591 1.75824
20 3IAE D7K 0.005817 0.40343 1.75824
21 3I0O ADP 0.006496 0.45126 1.76991
22 1Z44 FMN 0.03453 0.41075 1.77515
23 1Z41 FMN 0.04513 0.40258 1.77515
24 1RYD GLC 0.01565 0.43685 1.80879
25 1VL8 NAP 0.001311 0.41952 1.87266
26 3D2Y AH0 ALA FGA LYS 0.02583 0.40718 1.91571
27 1SQ5 ADP 0.007844 0.44324 1.94805
28 1SQ5 PAU 0.02582 0.43136 1.94805
29 1V5F TPP 0.00000205 0.42591 1.97802
30 1V5F FAD 0.00000205 0.42591 1.97802
31 4DYO SD4 0.02914 0.42472 1.97802
32 1YBH FAD 0.0000002327 0.41484 1.97802
33 3HYW DCQ 0.04382 0.40956 2.09302
34 1I0Z OXM 0.01571 0.47018 2.1021
35 1I0Z NAI 0.006245 0.40469 2.1021
36 1V6A TRE 0.0232 0.43814 2.10843
37 3IPQ 965 0.007537 0.40195 2.12014
38 2BJF DXC 0.0001344 0.42882 2.12766
39 1MZV AMP 0.03611 0.41657 2.12766
40 1T26 NAI 0.00000001304 0.44055 2.17391
41 1T26 GBD 0.00000001304 0.44055 2.17391
42 4WVH ASP HIS ASP ALA HIS ALA 0.02271 0.42992 2.1978
43 1NYT NAP 0.0141 0.40178 2.21402
44 2JBH 5GP 0.03781 0.41927 2.22222
45 2QCX PF1 0.01751 0.44434 2.28137
46 4Q3S X7A 0.001398 0.43349 2.33766
47 4IMG NGF 0.005743 0.43071 2.38908
48 2C9O ADP 0.0004164 0.43807 2.41758
49 2IZ1 ATR 0.03426 0.4341 2.41758
50 1RM0 D6P 0.0002074 0.40818 2.41758
51 1V8K ANP 0.00002711 0.47984 2.43902
52 1XE7 GUN 0.006701 0.4915 2.46305
53 2F2U M77 0.03694 0.41611 2.48756
54 1UNB AKG 0.0002133 0.41979 2.57235
55 1I2L DCS 0.01574 0.41311 2.60223
56 3DER ALA LYS 0.001855 0.44674 2.6087
57 2WL9 MBD 0.00005237 0.49369 2.62295
58 4RJK PYR 0.005703 0.51371 2.63736
59 4RJK TPP 0.003682 0.41744 2.63736
60 4RJK TDL 0.003255 0.41415 2.63736
61 1P3D ANP 0.01948 0.40032 2.63736
62 2Q09 DI6 0.04588 0.4152 2.64423
63 4KWI NAP 0.00007928 0.43773 2.6616
64 4KWI 1TJ 0.00009252 0.43327 2.6616
65 1EB9 HBA 0.03238 0.4153 2.67176
66 2Q8H TF4 0.01642 0.46907 2.7027
67 4M5P MLA 0.02677 0.46377 2.7027
68 4TMK T5A 0.00000303 0.40932 2.8169
69 1L8N GCW 0.02036 0.40072 2.85714
70 3BBH SFG 0.02484 0.40119 2.92683
71 2GGH NLQ 0.00005695 0.45619 2.93333
72 4L7I SAM 0.0323 0.40597 2.9484
73 1KQP ADJ 0.003055 0.40174 2.95203
74 4L6C 0BT 0.008655 0.41757 2.9703
75 4GZP G39 0.0003879 0.42079 3.05344
76 3NFZ 3NF 0.008998 0.44055 3.0581
77 3L02 CP 0.00128 0.42238 3.06407
78 3L02 SN0 0.00128 0.42238 3.06407
79 3QV9 QV7 0.01232 0.45206 3.07692
80 2AHR NAP 0.006413 0.40204 3.0888
81 4QCK ASD 0.002141 0.43137 3.10881
82 2I7C AAT 0.004445 0.40275 3.18021
83 1FX8 BOG 0.0000618 0.52001 3.20285
84 1V7R CIT 0.03406 0.45744 3.22581
85 1OYB FMN 0.01298 0.40811 3.25
86 1OYB HBA 0.0103 0.40427 3.25
87 4FUA PGH 0.000008091 0.51406 3.25581
88 2ZO9 MLI 0.003677 0.46036 3.28467
89 2XDQ MGX 0.01965 0.46456 3.2967
90 1A8S PPI 0.01049 0.43954 3.2967
91 1W7J ADP BEF 0.001876 0.45797 3.31126
92 1ONX ASP 0.0001488 0.46938 3.33333
93 1YBQ BDH 0.0001118 0.44727 3.33333
94 1CKM GTP 0.03288 0.4222 3.33333
95 1AL8 FMN 0.00002319 0.42911 3.34262
96 1AL8 DHP 0.000001813 0.42569 3.34262
97 3ZPG 5GP 0.02207 0.46165 3.40314
98 2ET1 GLV 0.0004393 0.42163 3.48259
99 3QUR ADP 0.005108 0.40528 3.4965
100 3QUR FM4 0.005108 0.40528 3.4965
101 1WGC SIA GAL BGC 0.04684 0.44903 3.50877
102 2GN2 C5P 0.002485 0.45285 3.51648
103 3JQ3 ADP 0.003844 0.45661 3.55191
104 1QO0 BMD 0.02612 0.44029 3.57143
105 3MAG 3MA 0.005063 0.50713 3.58306
106 3MAG SAH 0.00323 0.44073 3.58306
107 5AYC BGC BMA 0.01359 0.40608 3.62694
108 3SHR CMP 0.003077 0.46628 3.67893
109 4IEN COA 0.001237 0.42286 3.68098
110 4IEN GDP 0.009375 0.40102 3.68098
111 1XNG ATP 0.0005405 0.47553 3.73134
112 2Q28 ADP 0.006137 0.42955 3.73626
113 2YKL NLD 0.0301 0.40667 3.73626
114 2FH5 GTP 0.0000876 0.42893 3.78378
115 2QQ0 TMP 0.005646 0.40385 3.80435
116 2QQ0 ADP 0.005646 0.40385 3.80435
117 3VOZ 04A 0.006681 0.43484 3.80952
118 2Q37 3AL 0.008481 0.46023 3.8674
119 4L1F COS 0.006009 0.42072 3.91645
120 4F4S EFO 0.02866 0.42912 3.94737
121 1KTC NGA 0.03938 0.42227 3.95062
122 1KY8 NAP 0.00000003386 0.41353 3.95604
123 1E5F PLP 0.02983 0.41043 3.9604
124 4DEC UDP 0.001264 0.43653 4.06977
125 4DEC 3PG 0.001264 0.43653 4.06977
126 4KCT FDP 0.004764 0.45301 4.17582
127 4KCT PYR 0.0133 0.44103 4.17582
128 1VKO NAD 0.000001178 0.42044 4.17582
129 2BH9 NAP 0.03551 0.40714 4.17582
130 4JWX 1N4 0.04373 0.42001 4.28571
131 2WA4 069 0.01614 0.42907 4.29799
132 3P3N AKG 0.04825 0.42624 4.29799
133 1U5R ATP 0.002245 0.45882 4.31034
134 3WSJ MK1 0.00003963 0.42816 4.31034
135 2C5S AMP 0.00007957 0.55051 4.35835
136 1WKL ADP 0.0002635 0.42077 4.37956
137 1WKL ATP 0.01246 0.42025 4.37956
138 1PJ6 FOL 0.00002475 0.44353 4.3956
139 1VE3 SAM 0.01469 0.41431 4.40529
140 3B1J NAD 0.006399 0.40434 4.42478
141 2YY8 MTA 0.01703 0.41928 4.47761
142 3TI8 LNV 0.00001901 0.45804 4.55696
143 1NJR XYL 0.002659 0.42234 4.57746
144 1WDA BAG 0.03832 0.41898 4.61538
145 1GQY ACP 0.02034 0.4085 4.61538
146 1MVQ MMA 0.002552 0.41517 4.66102
147 1P1M MET 0.008616 0.41764 4.6798
148 1QD0 RR6 0.01003 0.43841 4.6875
149 3E8N ATP 0.0001582 0.42446 4.69208
150 3E8N VRA 0.0001582 0.42446 4.69208
151 2ORV 4TA 0.008717 0.41194 4.70085
152 1TV5 ORO 0.002249 0.4567 4.74041
153 1TV5 FMN 0.00001813 0.45274 4.74041
154 1TV5 N8E 0.002492 0.44893 4.74041
155 1TV5 A26 0.009605 0.41582 4.74041
156 2QV7 ADP 0.03741 0.40615 4.74777
157 3ESS 18N 0.03038 0.41424 4.78261
158 1QZZ SAM 0.006852 0.44185 4.81283
159 1Y42 TYR 0.005143 0.46574 4.84694
160 3P7I P7I 0.003002 0.47715 4.98442
161 4G1V FAD 0.000002616 0.40271 5.01253
162 4A8H PUW 0.0003445 0.44519 5.07042
163 3A2Y TS5 0.03185 0.40623 5.07614
164 3OYZ ACO 0.00006638 0.44968 5.08083
165 3NKT 1HN 0.009669 0.40524 5.16304
166 1J2Z SOG 0.01816 0.41815 5.18518
167 1TUV VK3 0.04883 0.44155 5.26316
168 3OCZ SRA 0.03206 0.40611 5.34351
169 1X1T NAD 0.000000004033 0.43669 5.38462
170 2RH4 EMO 0.0006678 0.40145 5.41516
171 3HAZ FAD 0.0006484 0.43468 5.49451
172 3HAZ NAD 0.003619 0.41261 5.49451
173 2WSI FAD 0.001998 0.44182 5.55556
174 1SJW NGV 0.008448 0.4341 5.55556
175 4QN6 LNV 0.00002035 0.46334 5.6266
176 1QKQ MAN 0.00454 0.45088 5.6338
177 1Q11 TYE 0.03271 0.42628 5.64516
178 2Y7G AAE 0.001233 0.46998 5.67376
179 1Y9Q MED 0.04485 0.42792 5.72917
180 3DGB MUC 0.000004321 0.40589 5.75916
181 2PP3 LGT 0.02891 0.41419 5.77889
182 4PVV HO4 0.0009565 0.41185 5.8642
183 1SS4 CIT 0.002766 0.52086 5.88235
184 1SS4 GSH 0.01398 0.4906 5.88235
185 3O2K DST 0.02297 0.43386 5.93407
186 1ZK4 AC0 0.000000131 0.41495 5.9761
187 1ZK4 NAP 0.000000131 0.41495 5.9761
188 3RO7 TDR 0.000001187 0.40847 6.03774
189 3B9Z CO2 0.03236 0.40616 6.18557
190 3TFC PEP 0.00448 0.46866 6.23377
191 4K30 NLG 0.02483 0.4322 6.25
192 1A5Z OXM 0.00008318 0.58941 6.26959
193 1A5Z FBP 0.001074 0.45988 6.26959
194 1A5Z NAD 0.00000995 0.44311 6.26959
195 3QDT A2G GAL 0.005889 0.48713 6.29371
196 5UDS ATP 0.01365 0.48137 6.29371
197 2WMO GTP 0.01888 0.42241 6.31579
198 3KJQ B94 0.02947 0.41716 6.31579
199 1FW1 GSH 0.01492 0.42694 6.48148
200 1XVA SAM 0.03236 0.40044 6.50685
201 3DG6 MUC 0.002451 0.46148 6.53951
202 1EDO NAP 0.00000005913 0.41834 6.55738
203 2C2A ADP 0.03369 0.40519 6.58915
204 3NOJ PYR 0.0008953 0.50599 6.72269
205 1Y75 NAG 0.007729 0.45227 6.77966
206 2PR5 FMN 0.006167 0.4328 6.81818
207 3FIU AMP 0.004518 0.45298 6.82731
208 3FIU POP 0.02022 0.43323 6.82731
209 4RLE 2BA 0.006294 0.4001 6.83761
210 1B63 ANP 0.01988 0.40363 6.90691
211 2QS8 MET 0.04344 0.40539 6.9378
212 1CFV E3G 0.0004625 0.45537 7.07965
213 2R5V HHH 0.03852 0.40117 7.28291
214 1ECM TSA 0.005846 0.45804 7.33945
215 2G30 ALA ALA PHE 0.0004229 0.47774 7.36434
216 1Y0L HAN 0.01305 0.48254 7.40741
217 3I51 45C 0.003225 0.46065 7.40741
218 3UEC ALA ARG TPO LYS 0.01406 0.45998 7.53425
219 1BTN I3P 0.02745 0.46973 7.54717
220 1GT4 UNA 0.009498 0.42458 7.54717
221 1BGV GLU 0.000759 0.41476 7.57238
222 1RHC F42 ACN 0.005362 0.4069 7.57576
223 1UF5 CDT 0.01089 0.44086 7.59076
224 1F1V DHY 0.02026 0.4323 7.73994
225 1JGT CMA 0.0009261 0.43055 7.91209
226 1JGT APC 0.001069 0.42538 7.91209
227 1VCE SAH 0.01867 0.40408 7.92453
228 2QTR NXX 0.002252 0.41696 7.93651
229 4M51 BEZ 0.01265 0.4687 7.96253
230 2NU8 COA 0.006722 0.41084 7.98611
231 1E1O LYS 0.001074 0.44217 8.13187
232 2Z5Y HRM 0.01815 0.42571 8.13187
233 5A2J ALA PRO ASP THR ARG PRO 0.03601 0.44622 8.19672
234 2EJU SAH 0.01148 0.42172 8.20106
235 3ALN ANP 0.03025 0.41009 8.25688
236 1XIU REA 0.04287 0.40073 8.26087
237 4KOA NDP 0.03813 0.4029 8.40841
238 4ORR PE3 0.005217 0.41741 8.42105
239 1ZJ6 G3D 0.0163 0.42886 8.55615
240 1XL8 152 0.04679 0.40869 8.57143
241 3NGU ADP 0.002265 0.46298 8.60927
242 1M9H NAD 0.01057 0.40151 8.63309
243 2P8B NSK 0.000003594 0.4062 8.67209
244 1N9L FMN 0.004802 0.43726 9.17431
245 1GEE NAD 0.008153 0.40081 9.1954
246 3F81 STT 0.017 0.46821 9.28962
247 4IXW IXW 0.0294 0.42453 9.44882
248 3A1I UNU 0.04521 0.41197 9.45055
249 1EYE PMM 0.02214 0.42283 9.64286
250 1FNZ A2G 0.0009417 0.45454 9.70464
251 3VGL BGC 0.0001812 0.45935 9.96885
252 3VGL ANP 0.00008562 0.44498 9.96885
253 3OQJ 3CX 0.04329 0.40928 10.1167
254 1HV9 UD1 0.001179 0.42353 10.3297
255 1FWY UD1 0.004874 0.40368 10.3297
256 3RF4 FUN 0.01495 0.44305 10.3448
257 4FK7 P34 0.04363 0.41161 10.4803
258 1D8C GLV 0.0395 0.43172 10.5495
259 4R38 RBF 0.01424 0.40656 10.7143
260 3JYY PPV 0.01282 0.44299 10.8014
261 3LTW HLZ 0.03246 0.43533 11.0714
262 1GR0 NAD 0.0000007303 0.4014 11.1717
263 1ULE GLA GAL NAG 0.02379 0.4534 11.3333
264 3UC5 ATP 0.00004202 0.40799 11.465
265 43CA NPO 0.01768 0.48646 11.5044
266 3DUR KDO 0.0335 0.42576 11.6071
267 1I2B USQ 0.0000108 0.40453 11.8812
268 1I2B UPG 0.0000108 0.40453 11.8812
269 1I2B NAD 0.0000108 0.40453 11.8812
270 3CF6 SP1 0.009898 0.43114 11.976
271 2WLT ASP 0.0001324 0.46399 12.3494
272 4BPM GSH 0.0106 0.40627 12.3596
273 1F3L SAH 0.005502 0.42513 12.4611
274 2P2V CSF 0.000001938 0.45511 12.967
275 1EXB NDP 0.0000004321 0.40431 13.253
276 3KMT SAH 0.009747 0.4351 13.4454
277 3EAU NDP 0.0000004619 0.41073 13.4557
278 3EAU PDN 0.0000004619 0.41073 13.4557
279 4M4Q 21A 0.01197 0.40684 13.6929
280 2IYG FMN 0.04518 0.40866 13.7097
281 1YRX FMN 0.03145 0.41257 14.0496
282 2FYU FDN 0.0147 0.4173 14.1026
283 4PTZ FMN 0.02238 0.41273 14.1361
284 2E1A MSE 0.04395 0.4161 14.6667
285 1XX4 BAM 0.001037 0.50283 15.3257
286 2IBN I1N 0.04864 0.40273 15.6
287 1GPM AMP 0.0008204 0.50131 15.8242
288 4CCO OGA 0.01887 0.43808 15.8242
289 2O66 FLC 0.01488 0.4479 16.2963
290 2FR6 CTN 0.01199 0.42094 16.4384
291 2FR6 URI 0.0176 0.41407 16.4384
292 4PNO U5P 0.01081 0.43312 19.4444
293 1UGX GAL MGC 0.00007861 0.47169 20
294 1K27 MTM 0.0008291 0.42845 21.5548
295 1YOA FAD 0.01526 0.40807 29.5597
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