Receptor
PDB id Resolution Class Description Source Keywords
3PMA 2.2 Å EC: 3.4.21.5 2.2 ANGSTROM CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN BOVINE AND SUCROSE OCTASULFATE BOS TAURUS PROTEASE THROMBOSIS FIBRINOLYSIS AGONIST HYDROLASE-HYDROINHIBITOR COMPLEX
Ref.: INTERACTION OF THROMBIN WITH SUCROSE OCTASULFATE. BIOCHEMISTRY V. 50 6973 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT B:3;
D:4;
Invalid;
Invalid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
NA B:1;
D:2;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
SCR B:248;
D:248;
Valid;
Valid;
none;
none;
submit data
982.802 C12 H22 O35 S8 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PMA 2.2 Å EC: 3.4.21.5 2.2 ANGSTROM CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN BOVINE AND SUCROSE OCTASULFATE BOS TAURUS PROTEASE THROMBOSIS FIBRINOLYSIS AGONIST HYDROLASE-HYDROINHIBITOR COMPLEX
Ref.: INTERACTION OF THROMBIN WITH SUCROSE OCTASULFATE. BIOCHEMISTRY V. 50 6973 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
20 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
21 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
22 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
23 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
24 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
25 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
27 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
29 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
31 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
32 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
33 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
35 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
36 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
37 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
39 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
41 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
43 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1XMN - SGN IDS SGN IDS SGN n/a n/a
45 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
46 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
47 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
49 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
50 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
51 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
52 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
20 1ETT Ki = 1.3 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
21 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
22 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
23 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
24 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
25 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
26 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
27 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
29 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
33 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
35 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
36 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
37 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
39 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
40 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
41 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
43 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
45 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1XMN - SGN IDS SGN IDS SGN n/a n/a
49 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
50 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
51 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
52 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
53 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
54 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
55 3PMA - SCR C12 H22 O35 S8 C([C@@H]1[....
56 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SCR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SCR 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PMA; Ligand: SCR; Similar sites found: 363
This union binding pocket(no: 1) in the query (biounit: 3pma.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.001959 0.45851 None
2 2GJ3 FAD 0.006028 0.42672 None
3 2HMT NAI 0.0154 0.4249 None
4 2C4I BTN 0.005359 0.40835 None
5 4W6Z ETF 0.0007299 0.46933 0.772201
6 3MCT SAH 0.006406 0.41288 1.1583
7 2VBQ BSJ 0.002297 0.44957 1.21212
8 1ULE GLA GAL NAG 0.003062 0.43152 1.33333
9 3QDY A2G GAL 0.0005986 0.46381 1.3986
10 3QDT A2G GAL 0.0009624 0.45442 1.3986
11 1E2S CSN 0.0004616 0.44926 1.5444
12 2NX1 RP5 0.003077 0.43602 1.5444
13 2NX1 PEP 0.004175 0.43029 1.5444
14 1JA9 NDP 0.03957 0.41713 1.5444
15 3JQ3 ADP 0.008985 0.41254 1.5444
16 4TSM MTT 0.007951 0.40134 1.5444
17 1YOE RIB 0.0218 0.40037 1.5444
18 3TCT 3MI 0.02313 0.41964 1.5748
19 2H6B 3C4 0.01755 0.40051 1.6
20 2XK9 XK9 0.003222 0.44306 1.9305
21 1Q0H NDP 0.009922 0.43375 1.9305
22 2YVF NAD 0.01773 0.43048 1.9305
23 2YVF FAD 0.0172 0.43048 1.9305
24 4M5P MLA 0.01459 0.41492 1.9305
25 1Q0H FOM 0.026 0.41273 1.9305
26 1IYE PGU 0.01435 0.41079 1.9305
27 1I2B UPG 0.03993 0.40978 1.9305
28 1I2B NAD 0.03993 0.40978 1.9305
29 1I2B USQ 0.03993 0.40978 1.9305
30 4I9A NCN 0.01525 0.40716 1.9305
31 1V1A ADP 0.01633 0.40587 1.9305
32 4C0C WVH 0.03739 0.4046 1.9305
33 1HEX NAD 0.01673 0.40412 1.9305
34 1FDJ 13P 0.002809 0.40111 1.9305
35 4WX0 HXD 0.008564 0.40002 1.9305
36 4BAS GNP 0.007356 0.41036 2.01005
37 3D3W NAP 0.004016 0.4351 2.04918
38 1PR9 NAP 0.01411 0.41344 2.04918
39 1V2X SAM 0.003608 0.42149 2.06186
40 1KHT AMP 0.003445 0.40629 2.08333
41 4G1V FAD 0.00395 0.43133 2.3166
42 4B16 NAG 0.007245 0.43015 2.3166
43 4JLV ADP 0.01117 0.42504 2.3166
44 4HA6 FAD 0.01479 0.42239 2.3166
45 2DTX BMA 0.01415 0.41962 2.3166
46 1Z45 NAD 0.01242 0.41233 2.3166
47 1ECC PCP 0.008748 0.4105 2.3166
48 2YIV NBN 0.008378 0.40498 2.3166
49 4CCN OGA 0.006113 0.40473 2.3166
50 3P3N AKG 0.006116 0.40472 2.3166
51 1H2M OGA 0.00635 0.40404 2.3166
52 2NS1 ADP 0.02704 0.40139 2.3166
53 3MB5 SAM 0.02526 0.4164 2.35294
54 2HJ3 FAD 0.005577 0.41541 2.4
55 1T57 FMN 0.006822 0.41345 2.42718
56 2PJL 047 0.001646 0.45536 2.42915
57 3GEG NAD 0.01893 0.40178 2.42915
58 1QB7 ADE 0.0006134 0.43883 2.54237
59 1MZV AMP 0.0006633 0.41317 2.55319
60 3R35 4CO 0.008305 0.42125 2.64901
61 2CKM AA7 0.003162 0.45109 2.7027
62 1DXY COI 0.002225 0.4463 2.7027
63 1D09 PAL 0.02502 0.44065 2.7027
64 4WBD CIT 0.002895 0.43263 2.7027
65 4DL8 UMP AF3 PO4 0.002021 0.43198 2.7027
66 3RKR NAP 0.0009272 0.43169 2.7027
67 3CQD ATP 0.008696 0.42716 2.7027
68 1KWK GAL 0.003797 0.41863 2.7027
69 4MWV BCZ 0.01483 0.41674 2.7027
70 1QF5 RPL 0.02843 0.41249 2.7027
71 1QF5 GDP 0.02843 0.41249 2.7027
72 1X54 4AD 0.008719 0.41211 2.7027
73 2HW1 ANP 0.007442 0.41015 2.7027
74 1I9G SAM 0.03228 0.40836 2.7027
75 1R37 NAD 0.02058 0.40723 2.7027
76 4AQL TXC 0.006467 0.40708 2.7027
77 1W55 C 0.03733 0.40695 2.7027
78 4IOK ADP 0.01354 0.40678 2.7027
79 2P41 SAH 0.008329 0.40449 2.7027
80 2HW1 FRU 0.00232 0.40332 2.7027
81 4KQI NIO 0.02235 0.4023 2.7027
82 4KQI RBZ 0.02235 0.4023 2.7027
83 1GPJ CIT 0.007553 0.40086 2.7027
84 4EXO PYR 0.009351 0.40939 2.73973
85 3HZS M0E 0.0362 0.40277 2.87081
86 2BZ1 TAU 0.01164 0.4287 3.06122
87 2YC5 6BC 0.0158 0.41343 3.07018
88 4RJK PYR 0.003906 0.45365 3.0888
89 3ZPG 5GP 0.002044 0.44805 3.0888
90 2IMP NAI 0.01211 0.4465 3.0888
91 3U4C NDP 0.002169 0.44404 3.0888
92 3RO7 TDR 0.002298 0.44151 3.0888
93 1V5F TPP 0.04262 0.43796 3.0888
94 1V5F FAD 0.04262 0.43796 3.0888
95 1T8U UAP SGN IDS SGN 0.006149 0.43498 3.0888
96 2C7G ODP 0.0185 0.42563 3.0888
97 2C7G FAD 0.01913 0.42563 3.0888
98 4B9E FAH 0.003479 0.42169 3.0888
99 4HZX G39 0.01322 0.42096 3.0888
100 3JDW ORN 0.003803 0.41444 3.0888
101 1NML CIT 0.002422 0.40938 3.0888
102 3RFV 15L 0.01301 0.40753 3.0888
103 1TOI HCI 0.01535 0.40704 3.0888
104 3CL7 HYN 0.01227 0.40575 3.0888
105 4DXJ IPE 0.003957 0.40392 3.0888
106 1ZGA SAH 0.006351 0.40315 3.0888
107 1QJC PNS 0.04516 0.40622 3.16456
108 2EWM NAD 0.01373 0.41164 3.21285
109 1UZN NAP 0.00266 0.42077 3.23887
110 3F81 STT 0.0008219 0.46688 3.27869
111 2OYS FMN 0.002558 0.42961 3.30579
112 3S9K CIT 0.00007503 0.56347 3.38983
113 2F7C CCU 0.002588 0.40231 3.43348
114 3K37 BCZ 0.008323 0.45446 3.4749
115 3F3E LEU 0.002738 0.44968 3.4749
116 3CKJ CIT 0.002895 0.43568 3.4749
117 1OAA OAA 0.01247 0.42578 3.4749
118 1YS4 NAP 0.005556 0.41721 3.4749
119 4RPM HXC 0.0217 0.41442 3.4749
120 3NNF AKG 0.004973 0.40851 3.4749
121 1XVV CCQ 0.03285 0.40295 3.4749
122 3R75 PYR 0.01518 0.40071 3.4749
123 1TU3 GNP 0.007223 0.41711 3.50877
124 1R18 SAH 0.007074 0.41278 3.52423
125 1SBZ FMN 0.0135 0.41314 3.5533
126 4JCA CIT 0.01862 0.4096 3.59281
127 1H9G COA MYR 0.005861 0.42248 3.7037
128 1NN5 ANP 0.001153 0.45743 3.72093
129 1NN5 2DT 0.001153 0.45743 3.72093
130 1L1Q 9DA 0.001545 0.43683 3.76344
131 2B82 ADN 0.004779 0.41823 3.79147
132 3N5O GSH 0.005728 0.41123 3.82979
133 2R40 20E 0.0003602 0.4711 3.861
134 4M51 BEZ 0.001394 0.44708 3.861
135 3B1F NAD 0.001286 0.44401 3.861
136 1X1T NAD 0.01792 0.43498 3.861
137 1DLJ NAI 0.0181 0.42317 3.861
138 2HGZ PBF 0.006105 0.41872 3.861
139 1DLJ UGA 0.02936 0.41332 3.861
140 2VQ5 HBA 0.006145 0.41088 3.861
141 1LVL FAD 0.02629 0.41088 3.861
142 1B8U OAA 0.01704 0.40867 3.861
143 4I71 AGV 0.006706 0.40839 3.861
144 2VQ5 LDP 0.01504 0.40669 3.861
145 2R40 EPH 0.01772 0.40616 3.861
146 4A6D SAM 0.009756 0.40346 3.861
147 1B9I PXG 0.0143 0.40141 3.861
148 1B8U NAD 0.01229 0.40099 3.861
149 1NF8 BOG 0.004006 0.41901 3.86473
150 3UIE ADX 0.00006325 0.48419 4
151 1TRD PGH 0.003942 0.40918 4
152 3EM1 TYD 0.006219 0.41759 4.10959
153 3BY8 MLT 0.003712 0.42046 4.22535
154 1D6H COA 0.001668 0.46574 4.2471
155 1GSA GSH 0.00161 0.46439 4.2471
156 2ZWS PLM 0.004135 0.45235 4.2471
157 2J7T 274 0.003211 0.43664 4.2471
158 1O9U ADZ 0.004671 0.43095 4.2471
159 4NTD FAD 0.01832 0.41357 4.2471
160 1UXG NAD 0.02385 0.40837 4.2471
161 1UXG FUM 0.02385 0.40837 4.2471
162 1GSA ADP 0.03549 0.40798 4.2471
163 3P0F BAU 0.006236 0.40566 4.2471
164 3AHC TPP 0.01839 0.40484 4.2471
165 1CKN GTP 0.004835 0.40048 4.2471
166 3MBG FAD 0.0134 0.40557 4.31655
167 1XE7 GUN 0.001443 0.45525 4.4335
168 1TDF NAP 0.001801 0.48315 4.6332
169 4GYW UDP 0.001218 0.45917 4.6332
170 1TIW FAD 0.002461 0.45287 4.6332
171 1TIW TFB 0.002461 0.45287 4.6332
172 3WO0 ALA 0.005313 0.43569 4.6332
173 3WO0 ADP 0.005313 0.43569 4.6332
174 1TDF FAD 0.01361 0.42658 4.6332
175 3OIG IMJ 0.009634 0.42079 4.6332
176 4O8A 2OP 0.0114 0.41246 4.6332
177 3OIG NAD 0.04039 0.41209 4.6332
178 4TMK T5A 0.002573 0.44488 4.69484
179 3ICC NAP 0.002256 0.4474 4.70588
180 2F5T MAL 0.003624 0.41947 4.72103
181 2F01 BTN 0.03329 0.41912 4.72441
182 3U5S FAD 0.001207 0.44329 4.7619
183 1MVN FMN 0.03503 0.40076 4.78469
184 2HVW DDN 0.004559 0.40899 4.8913
185 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.00651 0.43587 5.01931
186 1OTH PAO 0.004219 0.43543 5.01931
187 1I0Z OXM 0.004959 0.42972 5.01931
188 2Q3M MLA 0.007253 0.42184 5.01931
189 3V1U NAD 0.009346 0.4123 5.01931
190 2CJH AKG 0.004407 0.41182 5.01931
191 3OZG SSI 0.004727 0.41058 5.2
192 2QGI UDP 0.001033 0.4154 5.24194
193 1U7Z PMT 0.01421 0.41331 5.30973
194 1V7R CIT 0.02791 0.40074 5.37634
195 3UR0 SVR 0.003537 0.45177 5.40541
196 3FPZ AHZ 0.02204 0.43376 5.40541
197 1P72 ADP 0.004329 0.43367 5.40541
198 3RHZ UDP 0.003783 0.4187 5.40541
199 4LNL PLG 0.004895 0.40774 5.40541
200 4LNL 2BK 0.005595 0.40758 5.40541
201 4LNL 2BO 0.005595 0.40758 5.40541
202 4C0X AQN 0.0173 0.40722 5.41872
203 1QR0 COA 0.0007767 0.43475 5.70175
204 1KBJ FMN 0.003689 0.42963 5.79151
205 2PTZ PAH 0.001708 0.42863 5.79151
206 2QQF A1R 0.003967 0.42828 5.79151
207 1XX4 BAM 0.005315 0.42828 5.79151
208 2BLE 5GP 0.02092 0.42577 5.79151
209 1DKU AP2 0.006208 0.42212 5.79151
210 1KOL NAD 0.01116 0.42126 5.79151
211 3ZUY TCH 0.0008746 0.40705 5.79151
212 1SOW NAD 0.02051 0.4051 5.79151
213 4IAE 1DX 0.03328 0.4104 5.82011
214 1O6B ADP 0.02811 0.41036 5.91716
215 3PFG TLO 0.01063 0.42621 6.17761
216 3PFG SAM 0.01063 0.42621 6.17761
217 3SSO SAH 0.005065 0.41717 6.17761
218 2VAR AMP 0.0005337 0.41534 6.17761
219 4GQB 0XU 0.02996 0.41434 6.17761
220 1YBH FAD 0.02174 0.41114 6.17761
221 4USQ FAD 0.02365 0.40453 6.17761
222 1YOA FMN 0.005057 0.44775 6.28931
223 2IUW AKG 0.001471 0.42087 6.30252
224 2ALG HP6 0.005255 0.4165 6.52174
225 2ALG DAO 0.005255 0.4165 6.52174
226 2B4Q NAP 0.006691 0.42409 6.56371
227 1OWB NAD 0.007379 0.42287 6.56371
228 1Y7P RIP 0.004334 0.41102 6.72646
229 2P1M IHP 0.001639 0.44473 6.89655
230 2P1O IHP 0.005626 0.42738 6.89655
231 2P1O NLA 0.005626 0.42738 6.89655
232 1WVG CXY 0.0005326 0.46014 6.94981
233 3LTW HLZ 0.001465 0.43082 6.94981
234 1M5B BN1 0.01966 0.42574 6.94981
235 1WVG APR 0.01685 0.40128 6.94981
236 1NU4 MLA 0.002637 0.4626 7.2165
237 2Q8H TF4 0.002434 0.44444 7.33591
238 4AMV F6R 0.002757 0.42014 7.33591
239 1TUF AZ1 0.006589 0.41731 7.33591
240 4P9Z NMI PTR 02K ASN NH2 0.002361 0.40981 7.69231
241 4LIT AKG 0.002792 0.41278 7.72201
242 3OND ADN 0.03894 0.40608 7.72201
243 3OND NAD 0.03894 0.40608 7.72201
244 2OFE NAG 0.007533 0.40091 7.74648
245 2X61 NGA GAL SIA 0.03333 0.41483 7.75194
246 2WCV FUC 0.004053 0.4035 7.85714
247 1C1L GAL BGC 0.003154 0.42356 8.0292
248 4PO2 ASN ARG LEU LEU LEU THR GLY 0.008281 0.40989 8.08511
249 4O1M NAD 0.006645 0.42423 8.10811
250 2OWZ CIT 0.003555 0.41464 8.10811
251 2AMV BIN 0.03423 0.41019 8.10811
252 3R51 MMA 0.01775 0.40325 8.125
253 4M6T SAM 0.03259 0.40219 8.19672
254 4DN8 BMA 0.000708 0.44409 8.33333
255 3QQA TCH 0.003422 0.42609 8.33333
256 3WE0 FAD 0.01111 0.42809 8.49421
257 3UH0 TSB 0.007625 0.41303 8.49421
258 2PNZ UDP 0.0009131 0.4556 8.83534
259 2V7T SAH 0.01308 0.44883 8.88031
260 3U1T MLI 0.0084 0.40493 8.88031
261 9LDB NAD 0.02144 0.4031 8.88031
262 3HQJ COA 0.004487 0.41563 9.23077
263 2R42 FPS 0.005786 0.41294 9.26641
264 4Q3R XA2 0.01637 0.40183 9.26641
265 3QV1 NAD 0.02079 0.40127 9.26641
266 2PWY SAH 0.003096 0.42965 9.30233
267 4K30 NLG 0.0006487 0.43171 10
268 4W97 UCA 0.006751 0.41686 10
269 3Q9T FAY 0.003046 0.4487 10.0386
270 3QV9 QV7 0.005716 0.40017 10.0386
271 3PJU C2E 0.004847 0.42604 10.0402
272 1HDR NAD 0.01333 0.4286 10.2459
273 4NES UD1 0.002088 0.42938 10.3448
274 3IOI 1GW 0.008479 0.42207 10.3448
275 4QN7 G39 0.01142 0.41975 10.3448
276 3O2K DST 0.002449 0.40919 10.3448
277 4NE2 SH2 0.02436 0.40499 10.3448
278 2FPU HSO 0.0006928 0.40237 10.3448
279 1WVC CTP 0.02112 0.43663 10.8108
280 1JIL 485 0.003353 0.42282 10.8108
281 2PFC PLM 0.001735 0.4235 10.929
282 1POC GEL 0.002881 0.42153 11.194
283 3PY5 AMP 0.007575 0.4022 11.583
284 2QLX RM4 0.004838 0.41543 12.037
285 1JGS SAL 0.003066 0.45917 12.3188
286 3UCJ AZM 0.003929 0.40404 12.3348
287 1RYI GOA 0.002775 0.46501 12.3552
288 1R27 MGD 0.01279 0.4186 12.3552
289 1OFH ADP 0.01256 0.40678 12.6437
290 4KCF FMN 0.00885 0.42682 13.7931
291 1I1Q TRP 0.001505 0.42048 13.7931
292 4KCF AKM 0.005574 0.41881 13.7931
293 3SIX GDP 0.0003524 0.41081 13.7931
294 3SQG COM 0.01923 0.4089 13.7931
295 1QO0 BMD 0.004484 0.4104 13.8996
296 1H8G CHT 0.01356 0.42521 14.7368
297 2GDZ NAD 0.01026 0.41597 15.444
298 1V35 NAI 0.002939 0.45253 17.2414
299 2WQP WQP 0.003076 0.43455 17.2414
300 2PT9 2MH 0.01063 0.42003 17.2414
301 1IM8 SAI 0.004585 0.41898 17.2414
302 1ZK7 FAD 0.02122 0.41683 17.2414
303 2J8Z NAP 0.01655 0.40561 17.2414
304 4IS0 1R4 0.01138 0.40404 17.2414
305 3IO3 ADP 0.009829 0.4015 17.2414
306 1UBY DMA 0.00914 0.40089 17.2414
307 1EZV UQ6 0.002753 0.43008 20
308 1EZV SMA 0.01034 0.41184 20
309 2HGS ADP 0.001779 0.43807 20.6897
310 2XVE FAD 0.01282 0.43721 20.6897
311 1T0S BML 0.003031 0.43172 20.6897
312 1Q3Q ANP 0.02564 0.42026 20.6897
313 2EB5 OXL 0.003662 0.4141 20.6897
314 1BGQ RDC 0.004698 0.42662 24.1379
315 2DVZ GLU 0.001867 0.41959 24.1379
316 2V5E SCR 0.01689 0.41174 24.1379
317 1OLS TDP 0.02686 0.41127 24.1379
318 1Y13 BIO 0.003454 0.40895 24.1379
319 4LSJ LSJ 0.009716 0.40528 24.1379
320 3ZRR PXG 0.01064 0.40188 24.1379
321 1Y1A GSH 0.0009267 0.49708 27.5862
322 4PLG OXM 0.002707 0.44991 27.5862
323 4PLG NAI 0.002707 0.44991 27.5862
324 2NLI FMN 0.02074 0.4204 27.5862
325 2NLI LAC 0.02074 0.4204 27.5862
326 3ZS7 ATP 0.01073 0.40512 27.5862
327 2H6T IVA VAL VAL STA ALA STA 0.009035 0.40109 27.5862
328 1P9B HDA 0.002664 0.40084 27.5862
329 1BTN I3P 0.006122 0.44928 28.3019
330 4R33 SAH 0.0006092 0.47378 31.0345
331 4R33 TRP 0.0006092 0.47378 31.0345
332 1NVU GTP 0.00189 0.47214 31.0345
333 1Z44 NPO 0.004255 0.45169 31.0345
334 3FS8 TDR 0.01045 0.44774 31.0345
335 1Z42 HBA 0.01049 0.43447 31.0345
336 1E7S NAP 0.004615 0.43371 31.0345
337 2DKH FAD 0.008366 0.42351 31.0345
338 2DKH 3HB 0.01161 0.42351 31.0345
339 3PNL ADP 0.004012 0.42318 31.0345
340 3DDC GNP 0.005661 0.42165 31.0345
341 4IVG ANP 0.03474 0.40988 31.0345
342 4LWA Q13 0.001841 0.45964 34.4828
343 1FIQ FAD 0.003433 0.44184 34.4828
344 1FIQ SAL 0.00451 0.43416 34.4828
345 1FIQ MTE 0.00447 0.43175 34.4828
346 2BO4 FLC 0.002562 0.4275 34.4828
347 4G10 GSH 0.00237 0.42282 34.4828
348 3CBG SAH 0.002863 0.42164 34.4828
349 2CSN CKI 0.006643 0.41867 34.4828
350 4BMO FMN 0.01141 0.40857 34.4828
351 1G8S MET 0.004988 0.40845 34.4828
352 2TPL HPP 0.01409 0.40464 34.4828
353 3ZGE ASP 0.01213 0.40422 34.4828
354 1QRD FAD 0.01284 0.4034 34.4828
355 3WBF NAP 0.001847 0.44708 37.931
356 2PUL ACP 0.0007646 0.44286 37.931
357 1I7L ATP 0.003067 0.42982 37.931
358 1EDO NAP 0.02726 0.42502 37.931
359 2XDQ MGX 0.01787 0.40311 37.931
360 1NOW IFG 0.002563 0.40162 37.931
361 1NP0 NGT 0.001625 0.40137 37.931
362 3WBF API 0.02823 0.40002 37.931
363 1NW5 SAM 0.008738 0.40546 44.8276
Pocket No.: 2; Query (leader) PDB : 3PMA; Ligand: SCR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3pma.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PMA; Ligand: SCR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3pma.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3PMA; Ligand: SCR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3pma.bio4) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3PMA; Ligand: SCR; 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: 3pma.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3PMA; Ligand: SCR; Similar sites found: 95
This union binding pocket(no: 6) in the query (biounit: 3pma.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JNN 6LM 0.01363 0.40072 None
2 2GFD RDA 0.03837 0.40234 1.27119
3 5JPH COA 0.00169 0.46158 1.38889
4 1M7G AV2 0.01462 0.41186 1.4218
5 2G86 UMP 0.01077 0.42335 1.5444
6 2YNC YNC 0.03303 0.4188 1.5444
7 2JFN GLU 0.006766 0.41134 1.5444
8 4B7X NAP 0.03382 0.41292 1.9305
9 1DEK DGP 0.02939 0.40453 2.07469
10 3ETG GLU 0.01966 0.43127 2.3166
11 4C2X NHW 0.03979 0.41139 2.3166
12 4AVB ACO 0.02122 0.41068 2.3166
13 4XB4 45D 0.01124 0.41831 2.63158
14 1U72 NDP 0.02238 0.40838 2.68817
15 1U72 MTX 0.02238 0.40838 2.68817
16 3DST GRG 0.03064 0.4381 2.7027
17 2BGM NAJ 0.03115 0.40206 2.7027
18 5HGZ ACO 0.02415 0.40188 2.88066
19 4H6U ACO 0.008166 0.41946 3
20 3LZW NAP 0.0248 0.43338 3.0888
21 3LZW FAD 0.01494 0.43336 3.0888
22 2PIA FMN 0.01895 0.42041 3.0888
23 4MUS LY0 0.001686 0.4626 3.31754
24 2J07 FAD 0.02132 0.44078 3.4749
25 4U63 FAD 0.03147 0.41163 3.4749
26 4K28 NAD 0.02005 0.41116 3.4749
27 1QSR ACO 0.02289 0.42049 3.7037
28 1I1D COA 0.0006993 0.4952 3.72671
29 1I1D 16G 0.005944 0.44273 3.72671
30 3QCP FAD 0.01259 0.43955 3.861
31 4JNA FAD 0.01541 0.43748 3.861
32 2F5Z FAD 0.03444 0.40942 3.861
33 3EYA FAD 0.03276 0.4063 3.861
34 3RNM FAD 0.03906 0.40461 3.861
35 2C43 COA 0.01604 0.4005 3.861
36 4B5P ACO 0.001487 0.47211 4
37 5URY PAM 0.002717 0.44406 4.10959
38 1DR1 NAP 0.006346 0.42699 4.2328
39 1CDO NAD 0.02158 0.40811 4.2471
40 1TIQ COA 0.002272 0.44492 4.44444
41 4URN NOV 0.00701 0.40257 4.44444
42 1QSM ACO 0.02758 0.41173 4.60526
43 2ZPA ACO 0.004858 0.45894 4.6332
44 2QIA U20 0.01758 0.43921 4.6332
45 1FP1 HCC 0.01229 0.40009 4.6332
46 2JDC CAO 0.001606 0.47334 4.79452
47 4PVV HO4 0.007325 0.44682 5.01931
48 1YRE COA 0.01587 0.40576 5.07614
49 2B4D COA 0.01275 0.40524 5.26316
50 3K1X DBX 0.009588 0.40422 5.38462
51 1WWZ ACO 0.03385 0.40689 5.66038
52 2GZM DGL 0.004145 0.42945 5.79151
53 4V3I ASP LEU THR ARG PRO 0.001573 0.43898 5.83658
54 2VEZ ACO 0.0077 0.4417 6.31579
55 2VEZ G6P 0.008084 0.4417 6.31579
56 4MNS 2AX 0.02892 0.43227 6.91824
57 3LLI FAD 0.02184 0.42651 6.94981
58 5H86 BCO 0.009256 0.43451 7.14286
59 3KFC 61X 0.006776 0.43879 7.90514
60 2WUL GSH 0.02267 0.40405 8.47458
61 1BVY FMN 0.01297 0.41018 8.49421
62 1ID0 ANP 0.01659 0.40343 9.86842
63 3LEO GSH 0.04072 0.40161 10.3226
64 3FAL LO2 0.01057 0.41963 10.3306
65 3VC1 SAH 0.0238 0.40849 10.3448
66 3VC1 GST 0.04251 0.40849 10.3448
67 1WY7 SAH 0.04789 0.40289 10.3448
68 4M8E 29V 0.01065 0.42331 10.8225
69 4POJ 2VP 0.02032 0.40401 10.8225
70 1BOB ACO 0.004753 0.44116 11.1969
71 3MDV CL6 0.005155 0.45006 13.7931
72 2YK7 CSF 0.0182 0.40614 15.0579
73 1N8V BDD 0.02996 0.40947 16.9643
74 3FRH SAH 0.004651 0.44616 17.2414
75 1G8K MGD 0.01558 0.43664 17.2414
76 3LCV SAM 0.008208 0.41305 17.2414
77 1HDO NAP 0.04135 0.40902 17.9612
78 3G9E RO7 0.01865 0.42856 20.6897
79 3WHB DCC 0.009907 0.43701 22.6804
80 3SP6 IL2 0.0196 0.4101 24.1379
81 2JFZ 003 0.03682 0.4149 27.5862
82 2JFZ DGL 0.03997 0.41231 27.5862
83 1K7L 544 0.03168 0.40417 27.5862
84 1JZS MRC 0.008401 0.4342 31.0345
85 1DNP FAD 0.01042 0.43399 31.0345
86 3G08 FEE 0.02635 0.41477 31.0345
87 4ZOM 4Q3 0.02007 0.40456 31.0345
88 4ZSI GLP 0.04513 0.404 31.0345
89 1W2T SUC GLA 0.02837 0.40154 31.0345
90 3U3U EAH 0.02994 0.40317 34.4828
91 3WLE NAD 0.04972 0.40016 34.4828
92 1NP7 FAD 0.02535 0.40305 37.931
93 1MWH GTG 0.023 0.40602 41.3793
94 1N71 COA 0.008594 0.41183 44.8276
95 2Q4V ACO 0.01568 0.40614 48.2759
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