Receptor
PDB id Resolution Class Description Source Keywords
1NME 1.6 Å EC: 3.4.22.- STRUCTURE OF CASP-3 WITH TETHERED SALICYLATE HOMO SAPIENS CYSTEINE PROTEINASE; SULFONAMIDE INHIBITION APOPTOSIS HYDROLASE
Ref.: IN SITU ASSEMBLY OF ENZYME INHIBITORS USING EXTENDED TETHERING. NAT.BIOTECHNOL. V. 21 308 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
158 A:9001;
Part of Protein;
none;
submit data
205.232 C7 H11 N O4 S CC(=O...
159 B:9002;
Valid;
none;
submit data
277.317 C9 H11 N O5 S2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NME 1.6 Å EC: 3.4.22.- STRUCTURE OF CASP-3 WITH TETHERED SALICYLATE HOMO SAPIENS CYSTEINE PROTEINASE; SULFONAMIDE INHIBITION APOPTOSIS HYDROLASE
Ref.: IN SITU ASSEMBLY OF ENZYME INHIBITORS USING EXTENDED TETHERING. NAT.BIOTECHNOL. V. 21 308 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1NME - 159 C9 H11 N O5 S2 c1cc(c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1NME - 159 C9 H11 N O5 S2 c1cc(c(cc1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2QL5 Ki = 8 nM GLN GLY HIS GLY GLU n/a n/a
2 2QL7 Ki = 550 nM GLN GLY HIS GLY GLU n/a n/a
3 2QLB Ki = 1300 nM GLN GLY HIS GLY GLU n/a n/a
4 2QL9 Ki = 0.94 nM GLN GLY HIS GLY GLU n/a n/a
5 1NME - 159 C9 H11 N O5 S2 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 159; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 159 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NME; Ligand: 159; Similar sites found: 188
This union binding pocket(no: 1) in the query (biounit: 1nme.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P4T NAP 0.000007185 0.52308 None
2 4PNO U5P 0.00003576 0.4653 None
3 1XX4 BAM 0.0002845 0.46132 None
4 4Q3F TLA 0.0007533 0.45444 None
5 1SBZ FMN 0.002666 0.42441 None
6 1NXJ TLA 0.0004454 0.41469 None
7 1LNX URI 0.005079 0.40709 None
8 4JCA CIT 0.03593 0.40422 None
9 1OMZ UD2 0.0003271 0.47378 1.36986
10 43CA NPO 0.01701 0.43325 1.76991
11 1XE7 GUN 0.02549 0.40495 2.05479
12 1R37 NAD 0.01129 0.40213 2.05479
13 3PUN FUC GAL NDG FUC 0.01315 0.40904 2.17391
14 1GXU 2HP 0.00004946 0.40627 2.1978
15 3BRE C2E 0.005583 0.41661 2.73973
16 1Q3P GLU ALA GLN THR ARG LEU 0.002598 0.41344 3.26087
17 1DUC DUD 0.0001018 0.4123 3.26087
18 4B16 NAG 0.002403 0.46484 3.42466
19 2X2T GAL NGA 0.001883 0.46065 4.34783
20 2OWZ CIT 0.00001665 0.42378 4.34783
21 2XI7 XI7 0.04248 0.40781 4.34783
22 3QXV MTX 0.04214 0.40342 4.7619
23 3NYQ AMP 0.04053 0.40454 4.79452
24 3NYQ MCA 0.03899 0.40454 4.79452
25 3EJ0 11X 0.008385 0.40077 4.79452
26 2DUA OXL 0.0002134 0.44749 4.82759
27 3QDW NDG 0.00006783 0.50939 4.8951
28 3QDY CBS 0.00007165 0.50832 4.8951
29 3QDV NDG 0.0001063 0.5006 4.8951
30 3QDY A2G GAL 0.00132 0.45929 4.8951
31 3QDT A2G GAL 0.002765 0.44419 4.8951
32 3QDV A2G 0.005239 0.43884 4.8951
33 3QDW A2G 0.01029 0.42443 4.8951
34 2BOI MFU 0.001979 0.42368 5.30973
35 4B9E FAH 0.003528 0.43194 5.43478
36 1C3M MAN MAN 0.0005846 0.42211 5.43478
37 1SS4 CIT 0.002395 0.5065 5.47945
38 4TMK T5A 0.0006111 0.50018 5.47945
39 3CL7 HYN 0.00006869 0.47421 5.47945
40 1SAZ ACP 0.004583 0.44731 5.47945
41 1SS4 GSH 0.009638 0.44512 5.47945
42 1RRC ADP 0.0004188 0.44083 5.47945
43 1AG9 FMN 0.01857 0.41168 5.47945
44 1NPL MAN 0.0004214 0.44073 5.50459
45 2VMD MBG 0.001969 0.4597 6.16438
46 1FX8 BOG 0.00004652 0.44459 6.16438
47 3K3G MMU 0.003081 0.41871 6.16438
48 3F81 STT 0.01345 0.41869 6.16438
49 4HGP KDO 0.004984 0.41733 6.16438
50 2W3L DRO 0.01387 0.41803 6.25
51 1JA9 NDP 0.00001524 0.5505 6.52174
52 3IHB TRS 0.00052 0.52284 6.52174
53 1JA9 PYQ 0.00133 0.432 6.52174
54 2D1S SLU 0.01728 0.42546 6.52174
55 3VKX T3 0.001144 0.42169 6.52174
56 3L24 GOA 0.01499 0.41636 6.52174
57 4FGC PQ0 0.004791 0.41359 6.52174
58 4HA6 PXM 0.007345 0.4058 6.52174
59 2BVE PH5 0.001907 0.41619 6.72269
60 4M5P MLA 0.001636 0.47341 6.84932
61 1LTH FBP 0.0005238 0.46129 6.84932
62 2VJJ RAM GLC GAL NAG NAG GLC 0.002113 0.44583 6.84932
63 3H86 AP5 0.008734 0.42257 6.84932
64 4MFL MFK 0.02848 0.41873 6.84932
65 4K30 NLG 0.001758 0.41478 6.84932
66 3AHW 2AM 0.006818 0.43581 7.01754
67 3TKA CTN 0.0001467 0.55834 7.53425
68 2FWP ICR 0.000002975 0.54499 7.53425
69 2FWP CIT 0.00002394 0.50275 7.53425
70 4MOB ADP 0.00007981 0.43944 7.53425
71 2JE7 XMM 0.000001273 0.43015 7.53425
72 3PAK MAN 0.0006807 0.42343 7.53425
73 2Y7P SAL 0.004064 0.41102 7.53425
74 4AP9 1PS 0.000204 0.40658 7.53425
75 3GD8 BOG 0.00000158 0.59653 7.6087
76 3SUC ATP 0.00004538 0.50237 7.6087
77 1UQX MMA 0.00002623 0.48998 7.6087
78 3OAZ 2M5 0.01011 0.43712 7.6087
79 1GWN GTP 0.0414 0.4017 7.6087
80 1JGS SAL 0.01973 0.42602 7.97101
81 3FPZ AHZ 0.001459 0.47021 8.21918
82 3NOJ PYR 0.0002896 0.461 8.21918
83 1MWH GTG 0.001328 0.44322 8.21918
84 2O0J ADP 0.02007 0.40915 8.21918
85 3NJQ NJQ 0.00001383 0.40553 8.21918
86 2BO4 FLC 0.01572 0.40254 8.21918
87 1NU4 MLA 0.04264 0.40772 8.24742
88 2DWU DGL 0.003634 0.40773 8.33333
89 3I8T LBT 0.0002965 0.45704 8.53659
90 3CXO 1N5 0.00006338 0.4863 8.69565
91 3CXO 3LR 0.0001018 0.47501 8.69565
92 3B9Z CO2 0.0002577 0.47468 8.69565
93 1QHO ABD 0.01468 0.4399 8.69565
94 2Q3M MLA 0.01979 0.4104 8.69565
95 2JFV FLC 0.0003837 0.46717 8.90411
96 3VCA PRO 0.001033 0.43827 8.90411
97 2H6B 3C4 0.004159 0.43724 8.90411
98 1R0X ATP 0.001956 0.43096 8.90411
99 4HZX G39 0.00001278 0.52582 9.58904
100 2GN2 C5P 0.00003302 0.44481 9.58904
101 1FBL HTA 0.00359 0.40302 9.58904
102 3VHZ SOG 0.03603 0.40143 9.58904
103 2XBP ATP 0.001816 0.44584 9.73451
104 4TSK NDP 0.00004924 0.51994 9.78261
105 1W55 C 0.00006103 0.508 9.78261
106 2V9M CIT 0.00005745 0.47105 9.78261
107 2QIA U20 0.002997 0.44202 9.78261
108 1LDM OXM 0.0006253 0.43178 9.78261
109 9LDB OXM 0.02151 0.41581 9.78261
110 2R00 OEG 0.009041 0.41344 9.78261
111 1PTR PRB 0.01756 0.40035 10
112 3A8U PLP 0.00005676 0.47734 10.274
113 1A8S PPI 0.00003687 0.47481 10.274
114 3V1U HXC 0.001735 0.41499 10.274
115 1GJW GLC 0.009427 0.41262 10.274
116 1UUY PPI 0.000006057 0.40321 10.274
117 4OYA 1VE 0.004897 0.4552 10.8696
118 2IMP LAC 0.00001231 0.44369 10.8696
119 1HQL GLA MBG 0.004958 0.42525 10.8696
120 3DUR KDO 0.00354 0.41911 10.8696
121 2IZ1 ATR 0.01084 0.40404 10.8696
122 3QOX SAH 0.01204 0.43473 10.9589
123 4RJK PYR 0.01626 0.43058 10.9589
124 2YP9 SIA CMO 0.000621 0.40909 10.9589
125 1Y0L HAN 0.03355 0.40577 10.9589
126 2PMP C5P 0.001788 0.40482 11.6438
127 3UDG TMP 0.02691 0.40378 11.6438
128 4N02 FNR 0.00048 0.47481 11.9565
129 4DN8 BMA 0.00103 0.44854 11.9565
130 3CL5 SIO 0.008993 0.41355 11.9565
131 2EB5 OXL 0.009643 0.40626 11.9565
132 1A59 CIT 0.0134 0.40569 11.9565
133 1RYD GLC 0.002473 0.432 12.3288
134 2CW6 3HG 0.02294 0.40722 12.3288
135 2YD6 FLC 0.0001768 0.55165 13.0137
136 3CBG 4FE 0.01326 0.42667 13.0137
137 2Q1A 2KT 0.00001608 0.426 13.0137
138 3CBG FER 0.01524 0.416 13.0137
139 2P41 G1G 0.004363 0.40462 13.0137
140 4G1V FAD 0.000002258 0.60285 13.0435
141 4LO6 SIA GAL 0.0000773 0.51188 13.0435
142 2ZO9 MLI 0.0007443 0.42616 13.0435
143 4F8L GAL 0.00169 0.48371 13.1034
144 3S9K CIT 0.001211 0.49215 13.5593
145 1VCO GLN 0.0000001714 0.45254 13.6986
146 1H16 PYR 0.003352 0.44026 13.6986
147 2AEB ABH 0.004945 0.41573 14.1304
148 2PAR TMP 0.01081 0.41136 14.1304
149 1HFA PIO 0.0004198 0.53147 14.3836
150 1T3D CYS 0.007971 0.41592 14.3836
151 4M7F BM3 0.00005733 0.48591 15.2174
152 1ZFJ IMP 0.01825 0.42859 15.2174
153 4A6F SEP 0.03417 0.40536 15.2174
154 2YIV YIV 0.02261 0.40114 15.2174
155 1V5F TPP 0.0002003 0.53321 15.7534
156 1V5F FAD 0.0002003 0.53321 15.7534
157 1A5Z OXM 0.00004167 0.52978 15.7534
158 2BGM MAX 0.00008782 0.47019 15.7534
159 2BGM NAJ 0.000953 0.46573 15.7534
160 1B74 DGN 0.01015 0.4176 15.7534
161 1Q3Q ANP 0.00004288 0.52247 16.3043
162 1TV5 ORO 0.000777 0.40682 16.3043
163 4JLV ADP 0.04677 0.40175 16.3043
164 3EYK EYK 0.004676 0.41996 17.1233
165 3QV9 QV7 0.005893 0.40982 17.1233
166 2BZ1 TAU 0.006467 0.45227 17.3913
167 2NZ2 ASP 0.0006379 0.44358 18.4783
168 3MAG 3MA 0.0159 0.42261 18.4783
169 3SQG COM 0.02182 0.41549 18.4783
170 4PO2 ASN ARG LEU LEU LEU THR GLY 0.003072 0.40858 19.1781
171 1Y1A GSH 0.01579 0.43588 19.863
172 2FMD MAN MAN 0.000655 0.42959 19.863
173 1UO5 PIH 0.02652 0.41902 20.5882
174 2H9E DTY ILE ARG LEU LPD 0.03136 0.40118 20.6522
175 1OFH ADP 0.0008049 0.43562 21.7391
176 2PNZ 5GP 0.003186 0.40997 22.8261
177 3FJO FMN 0.01584 0.40932 22.8261
178 1BTN I3P 0.001869 0.49225 23.913
179 2UUU FAD 0.04584 0.40629 23.913
180 3I7S PYR 0.004709 0.43332 23.9726
181 1VGR COA 0.03627 0.40843 25
182 2HVK TBA 0.0003665 0.46803 27.1739
183 4ITR GDP 0.02221 0.40757 27.1739
184 3V0W PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO 0.04496 0.40267 27.1739
185 3VOZ 04A 0.00005695 0.44049 28.2609
186 3LKJ LKJ 0.03194 0.4112 29.3478
187 2BLE 5GP 0.0000394 0.52588 36.3014
188 1Y2W NAG 0.00005413 0.50411 39.1304
Pocket No.: 2; Query (leader) PDB : 1NME; Ligand: 159; Similar sites found: 142
This union binding pocket(no: 2) in the query (biounit: 1nme.bio5) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BL6 FMC 0.01143 0.42817 None
2 1TUV VK3 0.003943 0.41611 None
3 3PJU C2E 0.03418 0.41457 None
4 1R37 ETX 0.007345 0.41542 2.05479
5 3MBG FAD 0.01298 0.43508 3.59712
6 4BAS GNP 0.0009683 0.48585 4.10959
7 1FDJ 2FP 0.01248 0.41809 4.10959
8 1FDJ 13P 0.007837 0.4141 4.10959
9 1KBJ FMN 0.00146 0.48391 4.34783
10 2V7T SAH 0.01056 0.4831 4.34783
11 3OZG SSI 0.001422 0.46902 4.34783
12 2J0W ADP 0.0007056 0.48638 4.79452
13 2B82 ADN 0.01043 0.43371 4.79452
14 2WM1 13P 0.008854 0.41771 4.79452
15 2J0W ASP 0.01099 0.40382 4.79452
16 3QDX A2G GAL 0.0001476 0.4856 4.8951
17 3QDX CBS 0.006862 0.41331 4.8951
18 2FPU HSO 0.002204 0.43612 5.11364
19 3ACC 5GP 0.0001577 0.50439 5.43478
20 1B9I PXG 0.00221 0.47136 5.43478
21 3U5S FAD 0.002581 0.46438 5.43478
22 2DKH FAD 0.007693 0.45599 5.43478
23 2DKH 3HB 0.01015 0.45599 5.43478
24 2VWT PYR 0.003132 0.42907 5.43478
25 3VPD ANP 0.01382 0.42751 5.43478
26 3VPD CIT 0.001878 0.41988 5.43478
27 4LSJ LSJ 0.005074 0.44955 5.47945
28 2GDZ NAD 0.02286 0.42748 5.47945
29 2C4I BTN 0.03214 0.40191 5.47945
30 4IOK XPO 0.001919 0.47448 6.16438
31 4IOK ADP 0.004957 0.45812 6.16438
32 2D37 NAD 0.006469 0.45356 6.16438
33 2D37 FMN 0.006074 0.45356 6.16438
34 2PWY SAH 0.01165 0.43452 6.16438
35 3IO3 ADP 0.003109 0.45646 6.52174
36 1RYI GOA 0.00768 0.42822 6.52174
37 1FL3 SPB 0.02118 0.41557 6.52174
38 4DVE BTN 0.01768 0.40838 6.52174
39 1JN2 SFP 0.04055 0.40363 6.52174
40 2NW9 FT6 0.01265 0.40743 6.84932
41 2ZJ3 G6P 0.00119 0.47935 7.53425
42 4C1K PEP 0.007275 0.42178 7.53425
43 2VDJ HSE 0.001901 0.41359 7.53425
44 1P9P SAH 0.002776 0.46458 7.6087
45 1F74 NAY 0.001807 0.46388 7.6087
46 4A3X LAT 0.001483 0.43525 7.6087
47 1C4U IH1 0.0005829 0.49385 8.21918
48 2PTZ PAH 0.004373 0.44493 8.21918
49 1H9G COA MYR 0.02255 0.42401 8.21918
50 1O9U ADZ 0.007672 0.40306 8.21918
51 1MG1 MAL 0.006596 0.4455 8.69565
52 4LNL PLG 0.004829 0.44058 8.69565
53 4LNL 2BO 0.006855 0.43527 8.69565
54 4LNL 2BK 0.006855 0.43527 8.69565
55 4WVJ MAL 0.005011 0.42486 8.69565
56 2W1A TSA 0.008843 0.42301 8.69565
57 2VQ5 HBA 0.001041 0.41106 8.69565
58 5C7R MLR 0.01627 0.40639 8.69565
59 1T0S BML 0.003743 0.40566 8.69565
60 2EFJ SAH 0.001696 0.46748 8.90411
61 4NES UD1 0.008617 0.43431 8.90411
62 1X54 4AD 0.01457 0.43105 8.90411
63 2EFJ 37T 0.01325 0.40933 8.90411
64 1UWZ THU 0.003206 0.45158 9.55882
65 1FIQ FAD 0.0006721 0.51315 9.58904
66 1FIQ SAL 0.004128 0.46903 9.58904
67 1FIQ MTE 0.003683 0.46903 9.58904
68 3VHZ L2P GLC MAN SGA 0.04791 0.43625 9.58904
69 1UZN NAP 0.01382 0.42017 9.58904
70 1GAD NAD 0.03396 0.41471 9.58904
71 4IS0 1R4 0.001975 0.47208 9.78261
72 4IS0 GDS 0.001729 0.46707 9.78261
73 2WE5 ADP 0.00319 0.44942 9.78261
74 1KHT AMP 0.004243 0.4358 9.78261
75 4DXJ 0M9 0.01059 0.41921 10.274
76 1II5 GLU 0.0001276 0.50164 10.8696
77 2F01 BTN 0.03209 0.44541 10.8696
78 2F01 BTQ 0.03209 0.44541 10.8696
79 5YAS FAC 0.01427 0.41291 10.8696
80 1JAC AMG 0.008526 0.40912 10.8696
81 4M51 BEZ 0.003895 0.40111 10.8696
82 1Y4Z PCI 0.001268 0.44722 10.9589
83 4G10 GSH 0.007402 0.43362 10.9589
84 1R27 MGD 0.02513 0.43183 10.9589
85 5T0A A3P 0.0002029 0.50382 11.9565
86 2YVF NAD 0.0159 0.4609 11.9565
87 2YVF FAD 0.01548 0.4609 11.9565
88 2G36 TRP 0.001172 0.45624 11.9565
89 3GB5 FMN 0.03698 0.40411 11.9565
90 4GYW UDP 0.0002538 0.53265 13.0137
91 1NZY BCA 0.0005916 0.50737 13.0435
92 1PR9 NAP 0.0307 0.42407 13.0435
93 1H8G CHT 0.007669 0.42063 13.0435
94 4O8A 2OP 0.006308 0.4069 13.0435
95 3GTD MLI 0.0003746 0.40487 13.0435
96 3Q9T FAY 0.0007615 0.51522 13.6986
97 4USQ FAD 0.008927 0.45372 13.6986
98 3ZLM ANP 0.0002081 0.51508 14.1304
99 2HGZ PBF 0.002563 0.46975 14.1304
100 4R33 SAH 0.004342 0.46911 14.1304
101 4R33 TRP 0.004342 0.46911 14.1304
102 3UEC ALA ARG TPO LYS 0.00164 0.40205 14.1304
103 2P1M IHP 0.001533 0.48282 14.3836
104 3DDN HPV 0.0006564 0.46811 14.3836
105 1YAG ATP 0.01754 0.42541 14.3836
106 3PNL ADP 0.00004706 0.55431 15.0685
107 3IOI 1GW 0.003856 0.47058 15.2174
108 1TDF NAP 0.01346 0.46977 15.2174
109 3DAG FEG 0.00542 0.45463 15.2174
110 2J8Z NAP 0.008207 0.44953 15.7534
111 4ARF IP8 GLY PRO ALA 0.006186 0.43748 15.7534
112 1V7R CIT 0.01128 0.40335 15.7534
113 2XDQ MGX 0.00331 0.41954 16.3043
114 3C1O NAP 0.002655 0.46897 16.4384
115 1IYE PGU 0.01073 0.44597 17.1233
116 1HEX NAD 0.009203 0.4456 17.1233
117 4W6Z ETF 0.001234 0.43884 17.1233
118 3UH0 TSB 0.002131 0.47217 17.3913
119 3ZY6 GFB 0.01144 0.43169 17.3913
120 4HVK PMP 0.002308 0.4485 17.8082
121 4DQ2 BTX 0.000931 0.49871 18.4783
122 4RNV FMN 0.02239 0.41072 18.4783
123 4LWA Q13 0.007168 0.46412 19.5652
124 1FP1 HCC 0.005774 0.44302 19.5652
125 1FP1 SAH 0.01156 0.42402 19.5652
126 2IUW AKG 0.009044 0.41999 19.5652
127 1XHL NDP 0.01165 0.44528 20.5479
128 1UO4 PIH 0.003181 0.42942 20.5882
129 3BLI ACO 0.01011 0.43606 20.6522
130 3BLI PYR 0.004483 0.42187 20.6522
131 1G8S MET 0.0007061 0.4013 21.2329
132 2Q97 ATP 0.006304 0.4465 21.7391
133 1NX4 AKG 0.01326 0.40646 21.7391
134 3AHC TPP 0.001462 0.48996 21.9178
135 3KJI ADP 0.004467 0.44447 21.9178
136 3FED BIX 0.002163 0.46224 22.6027
137 1QS0 TDP 0.002958 0.4595 22.6027
138 2NZU BG6 0.001556 0.45368 22.6027
139 3BS8 PMP 0.009088 0.42482 22.8261
140 2Q8H TF4 0.003654 0.4176 23.2877
141 1LO0 BC1 0.02015 0.41919 27.1739
142 35C8 NOX 0.0236 0.40763 27.1739
Pocket No.: 3; Query (leader) PDB : 1NME; Ligand: 159; Similar sites found: 8
This union binding pocket(no: 3) in the query (biounit: 1nme.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5F3I 5UJ 0.004057 0.48855 6.52174
2 3IES M24 0.04345 0.40594 6.52174
3 1SQA UI1 0.01088 0.44966 7.53425
4 4YZC STU 0.0193 0.4236 7.53425
5 4Z5W TYS ILE TYS THR GLN 0.04341 0.41097 8.69565
6 5BSR AMP 0.04645 0.40728 10.8696
7 4UYW H1S 0.0008698 0.41548 12.3288
8 2UUU PL3 0.04584 0.40629 23.913
Pocket No.: 4; Query (leader) PDB : 1NME; Ligand: 159; Similar sites found: 38
This union binding pocket(no: 4) in the query (biounit: 1nme.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.004582 0.42035 None
2 2FGQ MLT 0.0004406 0.46456 3.26087
3 1ULE GLA GAL NAG 0.02038 0.40328 4.10959
4 1Y7P RIP 0.00406 0.42264 4.79452
5 3L6R MLI 0.01492 0.40358 5.47945
6 3BY8 MLT 0.002796 0.4365 5.6338
7 2TOH HBI 0.00006449 0.40107 6.16438
8 3IHB GLU 0.009604 0.41225 6.52174
9 1I1Q TRP 0.003597 0.4079 6.52174
10 5DRN 5CT 0.03639 0.4005 6.52174
11 3HZL 6PC 0.01677 0.41395 7.53425
12 4USS GSH 0.004174 0.41055 7.53425
13 2Q37 3AL 0.00622 0.40883 7.6087
14 2V5E SCR 0.008901 0.4356 8.69565
15 2VQ5 LDP 0.02253 0.40761 8.69565
16 1WRA PC 0.01413 0.40465 8.69565
17 4TSK TLA 0.00239 0.40892 9.78261
18 1W55 GPP 0.002221 0.40146 9.78261
19 2DVZ GLU 0.003663 0.40269 10.274
20 4EXO PYR 0.017 0.40701 10.8696
21 4COQ SAN 0.00955 0.40645 10.8696
22 2V5K OXM 0.003445 0.40134 11.6438
23 1Z42 HBA 0.005561 0.46552 11.9565
24 1Z44 NPO 0.01033 0.44127 11.9565
25 1PEA ACM 0.006079 0.4281 11.9565
26 1UF5 CDT 0.001199 0.42107 11.9565
27 1YBH P22 0.000002329 0.40321 13.0435
28 1QH9 LAC 0.01309 0.40046 13.0435
29 1H16 DTL 0.004277 0.44317 13.6986
30 5DTF 5CT 0.02755 0.40009 15.2174
31 1A5Z FBP 0.0001261 0.41276 15.7534
32 1CKN GTP 0.004737 0.40322 16.4384
33 1FNZ A2G 0.00001917 0.42609 17.3913
34 1JOT GAL A2G 0.0002889 0.44448 19.5489
35 4AF0 MOA 0.00003139 0.40033 21.7391
36 2ZJ5 ADP 0.004302 0.41556 23.913
37 2O66 FLC 0.006842 0.40709 26.087
38 3O03 GCO 0.007509 0.43115 28.2609
Pocket No.: 5; Query (leader) PDB : 1NME; Ligand: 159; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1nme.bio4) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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