Receptor
PDB id Resolution Class Description Source Keywords
1QS8 2.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE P. VIVAX ASPARTIC PROTEINASE PLASME COMPLEXED WITH THE INHIBITOR PEPSTATIN A PLASMODIUM VIVAX PLASMEPSIN ASPARTIC PROTEINASE HAEMOGLOBINASE MALARIA PEA HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE ACTIVATION OF P. VIVAX PLASMEPSIN. J.MOL.BIOL. V. 329 505 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:328;
B:328;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
IVA VAL VAL STA ALA STA C:401;
D:411;
Valid;
Valid;
none;
none;
submit data
684.896 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QS8 2.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE P. VIVAX ASPARTIC PROTEINASE PLASME COMPLEXED WITH THE INHIBITOR PEPSTATIN A PLASMODIUM VIVAX PLASMEPSIN ASPARTIC PROTEINASE HAEMOGLOBINASE MALARIA PEA HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE ACTIVATION OF P. VIVAX PLASMEPSIN. J.MOL.BIOL. V. 329 505 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1QS8 - IVA VAL VAL STA ALA STA n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M43 - IVA VAL VAL STA ALA STA n/a n/a
2 4Y6M - 48Q C39 H52 N4 O4 CCCN(CCC)C....
3 2IGX - A1T C41 H49 N5 O2 CCCCCc1ccc....
4 4CKU ic50 = 0.15 uM P2F C38 H52 N4 O6 S CCCN(CCC)C....
5 1XDH - IVA VAL VAL STA ALA STA n/a n/a
6 1LF2 - R37 C32 H41 N3 O4 Cc1cccc(c1....
7 1LEE - R36 C32 H41 N3 O4 Cc1cccc(c1....
8 1XE5 - 5FE C29 H47 F6 N5 O9 C[C@@H](C(....
9 1QS8 - IVA VAL VAL STA ALA STA n/a n/a
10 2BJU ic50 = 34 nM IH4 C37 H44 N4 O3 CCCCCc1ccc....
11 3QVI - K95 C37 H44 N4 O6 S2 CC1([C@H](....
50% Homology Family (144)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E81 - M91 C34 H49 N5 O6 S CSC[C@@H](....
2 4ZEA - IMI C10 H17 N3 O2 S C1[C@H]2[C....
3 3ER3 Ki = 81 nM 0EL C51 H78 N8 O9 NULL
4 4Y4D - CFF C8 H10 N4 O2 Cn1cnc2c1C....
5 5LWT - 7B3 C10 H13 N3 O Cc1c2cnnc(....
6 1EPM - THR PHE GLN ALA PSA LEU ARG GLU n/a n/a
7 1EED Ki = 16.2 uM 0EO C34 H55 N3 O8 CC(C)C[C@@....
8 3PMY - 41L C15 H13 N3 O c1ccc(cc1)....
9 1OEX - BOC HIS PRO PHE ALA LOV ILE HIS n/a n/a
10 4ER4 Ki = 160 nM PRO HIS PRO PHE HIS LAV ILE HIS LYS n/a n/a
11 4LBT Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
12 3PWW - ROC C38 H50 N6 O5 CC(C)(C)NC....
13 4Y38 Kd = 4 mM 0A9 C10 H13 N O2 COC(=O)[C@....
14 2JJJ - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
15 1GVV - 0GM C51 H61 N5 O6 CC(C)C[C@H....
16 3PMU - F7L C14 H20 F N O2 c1ccc(c(c1....
17 1GVT - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
18 1EPR - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
19 4Y4G - GGB C5 H12 N4 O3 [H]/N=C(N)....
20 3ER5 Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
21 3URL - HIS SER LEU PHE HIS PUK THR PRO n/a n/a
22 3PCZ - BAM C7 H9 N2 c1ccc(cc1)....
23 2V00 Kd = 0.22 mM V15 C12 H13 N3 O c1ccc(cc1)....
24 5LWR - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
25 3PLL - F06 C8 H9 Cl N2 S [H]/N=C(N)....
26 4ER2 Ki = 0.5 nM IVA VAL VAL STA ALA STA n/a n/a
27 4LP9 ic50 = 0.62 uM SER LEU PHE HIS 22G THR PRO n/a n/a
28 3PRS - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
29 1ENT Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
30 1E80 - 0GQ C41 H64 N10 O6 CC[C@H](C)....
31 5LWS - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
32 3PBD - F05 C8 H8 N2 c1ccc2c(c1....
33 1OD1 - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
34 3WZ6 Ki = 1.1 uM IXZ C27 H25 N3 O2 S c1ccc(cc1)....
35 5ER1 Ki = 960 nM 0HT C28 H48 N4 O5 CC[C@H](C)....
36 1OEW - SER THR n/a n/a
37 1EPQ Ki = 6.5 nM 0QF C31 H52 N4 O7 S2 CCS[C@@H](....
38 2JJI - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
39 3PCW - FBF C8 H7 F3 N2 [H]/N=C(/c....
40 3PGI - F41 C14 H18 N2 O3 c1cc2c(cc1....
41 4Y3J Kd = 6.8 mM HIC C7 H11 N3 O2 Cn1cc(nc1)....
42 1GVW Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
43 5ER2 Ki = 0.27 uM 0EK C50 H77 N9 O9 NULL
44 1EPP Ki = 69 nM 1Z1 C32 H57 N7 O6 S2 CC[C@H](C)....
45 2ER7 ic50 = 0.7 nM BOC HIS PRO PHE HIS LOV ILE HIS n/a n/a
46 4KUP Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
47 3WZ7 Ki = 1.8 uM IXY C28 H30 N4 O2 S c1ccc(cc1)....
48 1EPO Ki = 11 nM 2Z3 C32 H49 F2 N5 O7 NULL
49 1ER8 - DHI PRO PHE HIS LEU LEU VAL TYR n/a n/a
50 3WZ8 Ki = 1.5 uM IXV C27 H25 N3 O2 S c1ccc(cc1)....
51 3PI0 - F91 C14 H14 N2 O2 c1cc2c(cc1....
52 1GVU Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
53 1EPL - PRO LEU GLU PSA ARG LEU n/a n/a
54 4Y3Y Kd = 4.5 mM DCL C6 H15 N O CC(C)C[C@@....
55 1E5O - 3AI C23 H38 N4 O4 S CC[C@H](C)....
56 3PLD - F90 C8 H9 Cl N2 S [H]/N=C(N)....
57 2ER6 Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
58 3URI - PRO HIS LEU SER PHE MET ALA HIS n/a n/a
59 4LHH Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
60 4Y48 - GLY PRO n/a n/a
61 1E82 - M90 C34 H49 N5 O6 S CSC[C@@H](....
62 1EPN - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
63 2ER9 Ki = 40 nM BOC HIS PRO PHE HIS STA LEU PHE n/a n/a
64 4Y4J Kd = 3.4 mM LNR C8 H11 N O3 c1cc(c(cc1....
65 1GVX Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
66 3PM4 - F5N C15 H13 N3 O c1ccc(cc1)....
67 3PB5 - F63 C11 H12 N2 O2 CNCc1ccc(o....
68 4ZE6 Kd = 3.3 mM 011 C7 H15 N O2 C(CCCN)CCC....
69 3PBZ - F02 C11 H17 N3 O CCN(CC)c1c....
70 4ER1 Ki = 0.24 uM 0ZP C51 H68 N5 O4 CC[C@H](C)....
71 3OWN Ki = 34 nM 3OX C37 H48 N4 O7 S CC(C)CNC(=....
72 2G21 - L1B C19 H24 N5 O CCc1c(c(nc....
73 4RYC ic50 = 0.08 uM 3ZK C27 H39 N3 O6 S Cc1ccc(cc1....
74 3D91 Kd = 131 pM REM C33 H50 N4 O6 S CC(C)(C)S(....
75 1BIL ic50 = 0.5 nM 0IU C34 H53 N5 O5 S NULL
76 3KM4 ic50 = 1.3 nM 22X C28 H45 Cl N4 O3 CC(=O)NCCC....
77 2G24 - 7IG C19 H19 F2 N5 CCc1c(c(nc....
78 2IL2 Kd = 79 nM LIX C32 H38 N6 O5 S CCc1c(c(nc....
79 5SY3 ic50 = 43 uM 74Z C15 H15 N3 O S c1cc(oc1)C....
80 4Q1N ic50 = 0.2 nM 2Y9 C26 H42 N4 O4 CCOC[C@@H]....
81 2I4Q ic50 = 0.007 uM UA4 C25 H27 F2 N5 O3 CCc1c(c(nc....
82 2BKS ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
83 4S1G Ki = 0.6 nM 43T C24 H29 F N4 O2 C[C@@H](c1....
84 4XX3 Ki = 56 nM 70X C23 H28 N4 O2 [H]/N=C1/N....
85 2G1S - 4IG C24 H25 F2 N5 O3 CCc1c(c(nc....
86 2G20 - L1A C33 H50 N6 O7 S2 CC(C)C[C@@....
87 5SXN ic50 = 11 uM 74U C19 H15 N3 O c1ccc(cc1)....
88 3G70 ic50 = 0.29 nM A5T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
89 2G1Y - 5IG C20 H27 N5 O3 CCc1c(c(nc....
90 2G1R - 3IG C20 H26 N6 O3 CCc1c(c(nc....
91 4GJC ic50 = 0.09 uM 0MJ C27 H29 N3 O4 S Cc1ccc(cc1....
92 5SY2 ic50 = 11 uM 74V C18 H25 N5 O2 CCN([C@H]1....
93 5KOS ic50 = 0.79 nM 6VS C27 H46 N6 O4 CC(C)CN([C....
94 3G72 ic50 = 0.29 nM A6T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
95 3G6Z ic50 = 0.2 nM A7T C35 H39 Cl2 N3 O3 Cc1cccc(c1....
96 3GW5 ic50 = 0.47 nM 72X C28 H46 Cl N3 O3 CNC[C@H](C....
97 3SFC ic50 = 0.003 uM S53 C32 H29 F N4 O2 Cc1ccc(cc1....
98 2IKO Kd = 3571 nM 7IG C19 H19 F2 N5 CCc1c(c(nc....
99 3K1W - BFX C31 H31 Br Cl F N2 O2 c1ccc(c(c1....
100 4XX4 Ki = 44 nM 70Y C25 H30 N4 O2 [H]/N=C1/N....
101 2FS4 ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
102 2BKT ic50 = 23 nM RPF C31 H37 N3 O5 COc1ccccc1....
103 4GJ5 - 0LR C22 H23 N O c1ccc(cc1)....
104 2G22 - 6IG C27 H35 N5 O CCc1c(c(nc....
105 1RNE ic50 = 2 nM C60 C39 H63 N5 O6 S CCCCNC(=O)....
106 2G26 - 3LG C32 H35 N3 O7 COc1ccccc1....
107 4Y6M - 48Q C39 H52 N4 O4 CCCN(CCC)C....
108 2IGX - A1T C41 H49 N5 O2 CCCCCc1ccc....
109 4CKU ic50 = 0.15 uM P2F C38 H52 N4 O6 S CCCN(CCC)C....
110 1XDH - IVA VAL VAL STA ALA STA n/a n/a
111 1LF2 - R37 C32 H41 N3 O4 Cc1cccc(c1....
112 1LEE - R36 C32 H41 N3 O4 Cc1cccc(c1....
113 1XE5 - 5FE C29 H47 F6 N5 O9 C[C@@H](C(....
114 1PPM Ki = 1600 nM 0P1 C29 H40 N3 O9 P C[C@@H](C(....
115 2WED Ki = 0.8 uM PP6 C29 H32 N2 O7 P CC(C)[C@H]....
116 1APU Ki = 1.6 nM IVA VAL VAL STA EHN n/a n/a
117 2WEC Ki = 110 uM PP5 C28 H32 N2 O7 P CC(C)[C@@H....
118 1APW Ki = 10 nM IVA VAL VAL DFI NME n/a n/a
119 1PPL Ki = 2.8 nM 1Z7 C30 H50 N3 O8 P CC(C)C[C@H....
120 2WEB Ki = 7.6 uM PP4 C28 H32 N2 O7 P CC(C)[C@@H....
121 2WEA - PP6 C29 H32 N2 O7 P CC(C)[C@H]....
122 1BXO Ki = 0.1 nM PP7 C30 H47 N4 O9 P CC(C)C[C@@....
123 1APT - IVA VAL VAL LTA n/a n/a
124 1PPK Ki = 22 nM IVV C24 H46 N3 O7 P CCOC(=O)C[....
125 1BXQ Ki = 42 nM PP8 C29 H47 N4 O9 P CC(C)C[C@H....
126 1APV Ki = 1 nM IVA VAL VAL DFO NME n/a n/a
127 1SMR - PIV HIS PRO PHE HIS LPL TYR TYR SER n/a n/a
128 1QRP - HH0 C36 H60 N5 O10 P C[C@@H](C(....
129 1PSO - IVA VAL VAL STA ALA STA n/a n/a
130 2JXR Ki = 90 nM 2Z3 C32 H49 F2 N5 O7 NULL
131 1FQ5 Ki = 4 nM 0GM C51 H61 N5 O6 CC(C)C[C@H....
132 1QS8 - IVA VAL VAL STA ALA STA n/a n/a
133 1ZAP Ki = 0.17 nM A70 C42 H70 N6 O5 CCCC[C@@H]....
134 2BJU ic50 = 34 nM IH4 C37 H44 N4 O3 CCCCCc1ccc....
135 1IZE - IVA VAL VAL STA ALA STA n/a n/a
136 1WKR - IVA VAL VAL STA ALA STA n/a n/a
137 3EMY - IVA VAL VAL STA ALA STA n/a n/a
138 5HCT ic50 = 0.054 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
139 3QVI - K95 C37 H44 N4 O6 S2 CC1([C@H](....
140 3APR - DHI PRO PHE HIS PUK VAL TYR n/a n/a
141 6APR Ki < 17 nM IVA VAL VAL STA ALA STA n/a n/a
142 5APR Ki < 17 nM HIS PRO PHE CYS STA LEU PHE DHL n/a n/a
143 4APR Ki = 200 nM IVA HIS PRO PHE HIS STA LEU PHE n/a n/a
144 1CZI - PRO PHI SMC NOR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IVA VAL VAL STA ALA STA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 IVA VAL VAL STA ALA STA 1 1
2 IVA VAL VAL DFI NME 0.481013 0.8
3 5FE 0.476744 0.791667
4 IVA VAL VAL LTA 0.428571 0.755102
5 IVA VAL VAL DFO NME 0.409639 0.787234
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QS8; Ligand: IVA VAL VAL STA ALA STA; Similar sites found: 211
This union binding pocket(no: 1) in the query (biounit: 1qs8.bio4) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QLX RM4 0.0007099 0.47656 None
2 1UO5 PIH 0.008921 0.45607 None
3 1UO4 PIH 0.03339 0.41629 None
4 2B4Q NAP 0.0008835 0.415 1.08696
5 1O9U ADZ 0.02219 0.41864 1.51976
6 1PL6 572 0.001167 0.41511 1.51976
7 4USQ FAD 0.002158 0.40736 1.51976
8 4LHM AZZ 0.01647 0.40193 1.51976
9 3PFG SAM 0.003394 0.40732 1.52091
10 3PFG TLO 0.003394 0.40732 1.52091
11 1X1T NAD 0.00673 0.4173 1.53846
12 3IL6 B83 0.0003266 0.40854 1.55763
13 2F01 BTN 0.01389 0.40245 1.5748
14 4Q0A 4OA 0.001474 0.40756 1.65563
15 4OB6 S2T 0.0005796 0.43062 1.82371
16 3SHR CMP 0.001642 0.42848 1.82371
17 3DGB MUC 0.001618 0.4237 1.82371
18 4RJK PYR 0.01474 0.42094 1.82371
19 3S7O LBV 0.0008663 0.41673 1.82371
20 1H2B NAJ 0.001051 0.41665 1.82371
21 1VJT NAD 0.000233 0.41514 1.82371
22 2YVF FAD 0.01041 0.40459 1.82371
23 2YVF NAD 0.01084 0.40459 1.82371
24 1KBJ FMN 0.001293 0.4034 1.82371
25 4J7H TLO 0.002085 0.40239 1.82371
26 4E28 9MZ 0.01973 0.40344 1.84615
27 1A5Z OXM 0.03306 0.40369 1.88088
28 2DTX BMA 0.004431 0.40227 1.89394
29 2E2R 2OH 0.0002372 0.43984 2.04918
30 1G0N NDP 0.0008874 0.42533 2.12014
31 1G0N PHH 0.001146 0.42482 2.12014
32 1ZK7 FAD 0.001818 0.42177 2.12766
33 1SB8 NAD 0.002705 0.41745 2.12766
34 1SB8 UD2 0.003358 0.41745 2.12766
35 4KOA NDP 0.001202 0.41476 2.12766
36 4WVH ASP HIS ASP ALA HIS ALA 0.00568 0.41181 2.12766
37 1TB4 PEJ 0.001444 0.40792 2.12766
38 3FPZ AHZ 0.00613 0.42225 2.14724
39 2AE2 NAP 0.001807 0.41685 2.30769
40 2AE2 PTO 0.001807 0.41685 2.30769
41 1XHL NDP 0.001831 0.40722 2.3569
42 3NYQ AMP 0.001136 0.41551 2.37624
43 3NYQ MCA 0.001115 0.41444 2.37624
44 2IYG FMN 0.005585 0.40303 2.41935
45 2XDQ MGX 0.01116 0.43389 2.43161
46 3QV9 QV7 0.01092 0.40976 2.43161
47 1U5R ATP 0.002734 0.40621 2.43161
48 1SOW NAD 0.002714 0.40149 2.43902
49 1H9G COA MYR 0.001347 0.40442 2.46914
50 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006704 0.40459 2.5641
51 4FR3 LYS ARG ARG LYS SEP VAL 0.01477 0.4038 2.5641
52 3I51 45C 0.002799 0.41456 2.59259
53 1SQ5 ADP 0.0008574 0.43428 2.5974
54 1NZY BCA 0.001855 0.40142 2.60223
55 1JH7 UVC 0.01507 0.40363 2.6455
56 3F3E LEU 0.0008565 0.42469 2.73556
57 4GYW UDP 0.0007567 0.42009 2.73556
58 2NVK NAP 0.0103 0.40588 2.73556
59 2WA4 069 0.00549 0.40332 2.73556
60 4HA6 FAD 0.001371 0.42415 2.75591
61 4JWX 1N4 0.005523 0.41732 2.85714
62 2VDJ HSE 0.008245 0.43328 2.99003
63 2EB5 OXL 0.003758 0.43608 2.99625
64 4M5P MLA 0.008026 0.44935 3.03951
65 4M5P 23W 0.008324 0.43307 3.03951
66 4OYA 1VE 0.01172 0.41906 3.03951
67 3ZPG 5GP 0.03371 0.40931 3.03951
68 2F2U M77 0.006471 0.40489 3.03951
69 1TIW TFB 0.003709 0.4039 3.03951
70 1TIW FAD 0.003709 0.4039 3.03951
71 1XX4 BAM 0.002484 0.46703 3.06513
72 2Q1A 2KT 0.004841 0.43111 3.07167
73 2XK9 XK9 0.001288 0.41496 3.10559
74 2AEB ABH 0.002661 0.40366 3.10559
75 2Y7P SAL 0.008806 0.40876 3.21101
76 1UXG FUM 0.002311 0.41099 3.23625
77 1UXG NAD 0.002311 0.41099 3.23625
78 3QP4 HL0 0.002297 0.40896 3.2967
79 2C7G FAD 0.001032 0.4385 3.34347
80 2C7G ODP 0.001274 0.43435 3.34347
81 3GTD MLI 0.003341 0.43223 3.34347
82 2ZWS PLM 0.03349 0.42388 3.34347
83 3O2K DST 0.008268 0.40992 3.34347
84 3WD1 ST7 0.003764 0.4087 3.34347
85 2ZB3 NDP 0.001607 0.40495 3.34347
86 1F1V DHY 0.005927 0.41106 3.40557
87 2WGC SIA GAL BGC 0.02311 0.43296 3.50877
88 1WGC SIA GAL BGC 0.04502 0.40928 3.50877
89 1RZM E4P 0.002001 0.4555 3.64742
90 1RYI FAD 0.0004764 0.4403 3.64742
91 4P4T GDP 0.001162 0.4111 3.64742
92 3PLN U5P 0.01022 0.40603 3.64742
93 1RZM PEP 0.01226 0.40267 3.64742
94 3NKS FAD 0.004247 0.40079 3.64742
95 4CS4 ANP 0.0005372 0.43164 3.64964
96 4CS4 AXZ 0.005949 0.40169 3.64964
97 3MPI GRA 0.005508 0.41045 3.77834
98 3BHO B4P 0.01211 0.43984 3.84615
99 2Q8H TF4 0.01251 0.43135 3.95137
100 3FSJ D7K 0.01077 0.40841 3.95137
101 1U7Z PMT 0.0005997 0.42486 3.9823
102 2W3L DRO 0.04511 0.40277 4.16667
103 3QDT A2G GAL 0.001336 0.47177 4.1958
104 3QDY A2G GAL 0.001476 0.46967 4.1958
105 3QDY CBS 0.006522 0.43145 4.1958
106 3K37 BCZ 0.002367 0.43688 4.25532
107 1CKM GTP 0.001657 0.43366 4.25532
108 1QF5 RPL 0.001728 0.4244 4.25532
109 1QF5 GDP 0.001728 0.4244 4.25532
110 3BRE C2E 0.01052 0.41585 4.25532
111 3TFC PEP 0.01183 0.40334 4.25532
112 1C1L GAL BGC 0.008732 0.4255 4.37956
113 1XE7 GUN 0.006606 0.44547 4.4335
114 1PEA ACM 0.0005801 0.4894 4.55927
115 1Q3Q ANP 0.005183 0.41217 4.55927
116 4CCO OGA 0.01369 0.40064 4.55927
117 1Y9Q MED 0.01454 0.40948 4.6875
118 1BTN I3P 0.0004909 0.53551 4.71698
119 2FR6 URI 0.0007466 0.41768 4.79452
120 2FR6 CTN 0.002181 0.40172 4.79452
121 1YAG ATP 0.001125 0.40191 4.8
122 2V6O FAD 0.005409 0.42207 4.86322
123 4NE2 ADP 0.00296 0.40148 4.86322
124 4NE2 SH2 0.00353 0.40129 4.86322
125 3F81 STT 0.02439 0.41653 4.91803
126 3BY8 MLT 0.004009 0.44136 4.92958
127 1UF5 CDT 0.002179 0.42362 4.9505
128 1OAA OAA 0.006403 0.40056 5.01931
129 2Y6P CTP 0.004757 0.41019 5.12821
130 1Z48 FMN 0.0008754 0.42413 5.16717
131 4AT0 FAD 0.006646 0.40349 5.16717
132 3MAG 3MA 0.01442 0.43582 5.21173
133 4COQ SAN 0.002445 0.4445 5.26316
134 3OIG NAD 0.006312 0.41193 5.26316
135 3D3W NAP 0.00263 0.40063 5.32787
136 2JBH 5GP 0.006553 0.40927 5.33333
137 1EB9 HBA 0.005668 0.40278 5.34351
138 1I0Z OXM 0.001705 0.47532 5.47112
139 4W6Z 8ID 0.002314 0.40871 5.47112
140 1V6A TRE 0.01195 0.40805 5.47112
141 3ICC NAP 0.000797 0.41934 5.4902
142 3WE0 FAD 0.001523 0.42253 5.77508
143 1EP2 FMN 0.001185 0.40781 5.78778
144 1SS4 GSH 0.00681 0.46362 5.88235
145 1SS4 CIT 0.01478 0.4366 5.88235
146 4Q5M ROC 0.005243 0.40852 5.91133
147 1Q11 TYE 0.0106 0.40536 5.91398
148 1FIQ SAL 0.002103 0.40521 5.93607
149 1R6D DAU 0.001893 0.42646 6.07903
150 1C0I FAD 0.001361 0.42623 6.07903
151 1C0I BE2 0.001361 0.42623 6.07903
152 3A1I UNU 0.004974 0.40942 6.07903
153 1R6D NAD 0.009847 0.40127 6.07903
154 3KJQ B94 0.003325 0.41169 6.09756
155 1TUV VK3 0.04698 0.40186 6.14035
156 1NU4 MLA 0.04205 0.41088 6.18557
157 4F8L GAL 0.0008388 0.51317 6.2069
158 3Q9T FAY 0.002213 0.41164 6.38298
159 1JQ5 NAD 0.03547 0.40782 6.38298
160 1M5B BN1 0.001459 0.43381 6.46388
161 2QCX PF1 0.01754 0.40073 6.46388
162 4F4S EFO 0.008847 0.40867 6.57895
163 2OYS FMN 0.0005244 0.40722 6.61157
164 1QO0 BMD 0.005579 0.42832 6.63265
165 2E1A MSE 0.0006149 0.45123 6.66667
166 3EW2 BTN 0.003049 0.42285 6.66667
167 1DLJ UGA 0.008279 0.4017 6.68693
168 1DLJ NAI 0.008943 0.40049 6.68693
169 1G8S MET 0.001153 0.45924 6.95652
170 2NCD ADP 0.003768 0.42995 6.99088
171 1LVL FAD 0.0009817 0.42925 7.29483
172 3OND ADN 0.002056 0.42171 7.29483
173 3OND NAD 0.002056 0.42171 7.29483
174 2RCN GDP 0.008412 0.40037 7.29483
175 1HDR NAD 0.004134 0.41172 7.37705
176 1LNX URI 0.008605 0.40918 7.40741
177 3T31 DCQ 0.004566 0.41567 7.78032
178 3T31 FAD 0.004154 0.41567 7.78032
179 1TDF NAP 0.001098 0.44701 7.91139
180 1TDF FAD 0.0003767 0.44701 7.91139
181 4YHQ G10 0.005187 0.40426 8.08081
182 3R51 MMA 0.03687 0.40731 8.125
183 4EXO PYR 0.01787 0.41684 8.21918
184 1QJC PNS 0.01012 0.40046 8.22785
185 4PTZ FMN 0.00238 0.40431 8.37696
186 3SJ0 DXC 0.002311 0.45257 8.4507
187 3RF4 FUN 0.008669 0.40905 8.62069
188 1YOA FMN 0.04772 0.41516 8.80503
189 2IZ1 ATR 0.001831 0.45017 8.81459
190 2O66 FLC 0.01355 0.40565 8.88889
191 1T26 GBD 0.02006 0.40811 9.00621
192 1T26 NAI 0.02006 0.40811 9.00621
193 1V5F FAD 0.04964 0.40535 9.11854
194 1V5F TPP 0.04964 0.40535 9.11854
195 3F8C HT1 0.003256 0.43272 9.52381
196 1LTH NAD 0.002489 0.42682 9.71787
197 3LZW NAP 0.003457 0.42084 10.0304
198 1L2T ATP 0.0005241 0.41251 10.6383
199 1GJW GLC 0.005248 0.43588 10.9422
200 3TKA CTN 0.002863 0.48676 13.0699
201 1ULE GLA GAL NAG 0.00661 0.43796 13.3333
202 2Z9V PXM 0.005359 0.41787 13.3739
203 1T0S BML 0.006157 0.43946 13.9535
204 3S9K CIT 0.01218 0.44059 16.1017
205 3P7I P7I 0.003317 0.42666 16.1994
206 1GU3 BGC BGC BGC BGC BGC 0.008096 0.4103 17.4497
207 2H6T IVA VAL VAL STA ALA STA 0.00000000007119 0.59248 41.9453
208 4GID 0GH 0.002922 0.41209 44.0729
209 3ZKN WZV 0.0001047 0.56335 44.9848
210 2QZX IVA VAL VAL STA ALA STA 0.00003976 0.52519 44.9848
211 3ZKI WZV 0.001274 0.47277 44.9848
Pocket No.: 2; Query (leader) PDB : 1QS8; Ligand: IVA VAL VAL STA ALA STA; Similar sites found: 170
This union binding pocket(no: 2) in the query (biounit: 1qs8.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ECM TSA 0.001221 0.43314 None
2 1BGQ RDC 0.001824 0.41108 None
3 3ZZS TRP 0.007126 0.4003 None
4 2J07 FAD 0.005791 0.41612 1.51976
5 2J07 HDF 0.005791 0.41612 1.51976
6 1E7S NAP 0.002971 0.41056 1.55763
7 2F01 BTQ 0.009627 0.41749 1.5748
8 1B5E DCM 0.006747 0.40339 1.62602
9 2J7T 274 0.001885 0.41357 1.65563
10 3IOI 1GW 0.003868 0.40642 1.67785
11 3DJL FAD 0.007024 0.42941 1.82371
12 2EFJ SAH 0.0005506 0.41213 1.82371
13 1TFZ 869 0.0006293 0.40769 1.82371
14 1RY2 AMP 0.003169 0.40111 1.82371
15 4NAO AKG 0.005597 0.42914 1.84049
16 1F5F DHT 0.001062 0.41068 1.95122
17 2JFV FLC 0.005302 0.42388 2.06186
18 1RP0 AHZ 0.006411 0.42642 2.11268
19 4KCT FDP 0.001505 0.41904 2.12766
20 4KQL 1SG 0.008579 0.41756 2.12766
21 4KCT PYR 0.005171 0.40802 2.12766
22 3U4C NDP 0.002121 0.41175 2.13523
23 1EYE PMM 0.003988 0.40311 2.14286
24 1OTH PAO 0.002299 0.41459 2.18069
25 1GSA ADP 0.01322 0.4015 2.21519
26 1KDK DHT 0.0008251 0.41619 2.25989
27 1OIK C26 0.0008508 0.4022 2.32558
28 2YBQ UP2 0.006289 0.4034 2.39726
29 4R33 SAH 0.0003803 0.44423 2.43161
30 4R33 TRP 0.0003803 0.44423 2.43161
31 4NTD FAD 0.000717 0.44052 2.43161
32 2ZJ5 ADP 0.002271 0.43381 2.43161
33 2IMP NAI 0.008431 0.42617 2.43161
34 4PLG NAI 0.002505 0.41926 2.43161
35 4PLG OXM 0.002505 0.41926 2.43161
36 3BAZ NAP 0.001337 0.41421 2.43161
37 3DG6 MUC 0.001796 0.41146 2.43161
38 2HGS ADP 0.001906 0.40373 2.43161
39 1UMP SQA 0.002828 0.40284 2.43161
40 2C31 TZD 0.03079 0.40051 2.43161
41 2C31 ADP 0.02988 0.40051 2.43161
42 2PT9 2MH 0.0007222 0.43545 2.49221
43 2PT9 S4M 0.002159 0.40694 2.49221
44 4FR3 0V4 0.01838 0.40855 2.5641
45 1GV0 NAD 0.000292 0.44395 2.58065
46 1SQ5 PAU 0.009528 0.40206 2.5974
47 1VDC FAD 0.00187 0.43409 2.73556
48 3P3N AKG 0.004486 0.4271 2.73556
49 2XCG XCG 0.002097 0.41334 2.73556
50 1F8F NAD 0.01763 0.40113 2.73556
51 1T8U UAP SGN IDS SGN 0.006668 0.40458 2.94118
52 4O8A FAD 0.0008935 0.42803 3.03951
53 1D6H COA 0.0064 0.41011 3.03951
54 1KTC NGA 0.006838 0.40804 3.03951
55 2DKH FAD 0.005305 0.40268 3.03951
56 1E5F PLP 0.002428 0.40237 3.03951
57 2DKH 3HB 0.009197 0.40038 3.03951
58 4NAT ADP 0.0122 0.42063 3.125
59 2HJ3 FAD 0.0003967 0.42508 3.2
60 1ZJ6 G3D 0.004256 0.40205 3.20856
61 2EWM NAD 0.00208 0.41483 3.21285
62 3M0J OAF 0.004295 0.4035 3.25733
63 2HGZ PBF 0.003066 0.40002 3.26797
64 1WDA BAG 0.002003 0.42453 3.34347
65 4DYO SD4 0.005273 0.40768 3.34347
66 1Y42 TYR 0.007516 0.40634 3.34347
67 4KCF AKM 0.01234 0.40424 3.34347
68 4UAL 3FV 0.001103 0.40246 3.34347
69 1M7Y PPG 0.004534 0.40135 3.34347
70 3PVT 3HC 0.001318 0.42956 3.4749
71 1IUP ALQ 0.001941 0.41454 3.5461
72 3FXU TSU 0.001227 0.41384 3.60656
73 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.001196 0.4345 3.64742
74 1R37 NAD 0.001119 0.42851 3.64742
75 2RDT 2RD 0.009875 0.41767 3.64742
76 2RDT FMN 0.007026 0.41678 3.64742
77 1WVG APR 0.002058 0.40767 3.64742
78 4G1V FAD 0.03746 0.40532 3.64742
79 2R14 FMN 0.002754 0.40478 3.64742
80 1RYI GOA 0.01098 0.40122 3.64742
81 3SIX GDP 0.004578 0.40085 3.64742
82 4EKV BTN 0.005501 0.4021 3.77358
83 4JK3 NAD 0.003967 0.40207 3.861
84 3BW2 FMN 0.0003296 0.44207 3.95137
85 2NLI LAC 0.01243 0.40985 3.95137
86 2NLI FMN 0.01148 0.40985 3.95137
87 1V35 NAI 0.005951 0.40942 3.95137
88 2BLE 5GP 0.0147 0.40696 3.95137
89 2V5E SCR 0.01991 0.42333 4
90 3ZS7 ATP 0.002313 0.40084 4
91 1EDO NAP 0.02515 0.40246 4.09836
92 4K5S PM0 0.002883 0.42777 4.10448
93 4B4D FAD 0.000506 0.42149 4.19847
94 3RKR NAP 0.0001063 0.41997 4.19847
95 1H0C AOA 0.01731 0.40647 4.25532
96 2IXB NAD 0.003602 0.40626 4.25532
97 2IXB A2G 0.00601 0.40626 4.25532
98 2BJK NAD 0.01558 0.40216 4.25532
99 2BGM NAJ 0.01997 0.40037 4.31655
100 2G86 UMP 0.00335 0.42526 4.43038
101 2VKL MLT 0.02397 0.41908 4.44444
102 1FS5 TLA 0.003691 0.40104 4.51128
103 2YYJ 4HP 0.02399 0.40852 4.55927
104 2YYJ FAD 0.02399 0.40852 4.55927
105 1TUF AZ1 0.00201 0.4064 4.55927
106 2P8O BVA 0.0007286 0.40735 4.58015
107 4TMK T5A 0.04504 0.40649 4.69484
108 2VBQ BSJ 0.003347 0.41116 4.84848
109 2XVE FAD 0.002255 0.44056 4.86322
110 1BUC CAA 0.001707 0.40886 4.86322
111 2GDZ NAD 0.002093 0.41337 4.86891
112 1HFS L04 0.001515 0.42113 5
113 4N7C AEF 0.003607 0.43794 5.11364
114 1Z44 NPO 0.03895 0.41539 5.16717
115 1YBH FAD 0.004398 0.41234 5.16717
116 2NX1 RP5 0.00271 0.40652 5.24345
117 3WBF API 0.00145 0.42314 5.2459
118 3K9W ADE 0.04471 0.40205 5.34759
119 3K9W 4PS 0.04471 0.40205 5.34759
120 3WO0 ALA 0.0004333 0.44615 5.47112
121 3WO0 ADP 0.0004333 0.44615 5.47112
122 3B20 NAD 0.001948 0.4085 5.47112
123 2YGN PCF 0.003348 0.40469 5.76923
124 2GSD NAD 0.002029 0.42031 5.77508
125 1KOL NAD 0.005391 0.40587 5.77508
126 1EP2 ORO 0.001837 0.42067 5.78778
127 1FIQ FAD 0.0008267 0.43331 5.93607
128 2PR5 FMN 0.001162 0.40514 6.06061
129 9LDT NAD 0.0004168 0.43992 6.07903
130 9LDB NAD 0.0004356 0.43924 6.07903
131 4AF0 IMP 0.002136 0.43188 6.07903
132 2V7T SAH 0.004633 0.44102 6.38298
133 1ZZ7 S0H 0.004232 0.41668 6.56566
134 3NCQ ATP 0.001252 0.40809 6.72269
135 3LTW HLZ 0.01815 0.40006 6.78571
136 2B7N NTM 0.006381 0.41458 6.95971
137 1TU3 GNP 0.002946 0.40221 7.01754
138 3SQG TP7 0.0001278 0.42823 7.16846
139 1LVL NAD 0.002033 0.40092 7.29483
140 1P9B IMO 0.002777 0.40151 7.59878
141 1X54 4AD 0.00296 0.40055 7.59878
142 3IU9 T07 0.01394 0.40721 7.63889
143 1Q0H FOM 0.002445 0.42781 7.88177
144 1Q0H NDP 0.01401 0.40053 7.88177
145 1QPB TPP 0.001673 0.4124 7.90274
146 1QPB PYM 0.001904 0.41042 7.90274
147 4GLJ RHB 0.004766 0.40314 8.08081
148 3U7Y FLC 0.002648 0.48506 8.51064
149 4IVG ANP 0.001961 0.40507 8.51064
150 2CKM AA7 0.01003 0.40089 8.51064
151 1IM8 SAI 0.002105 0.40041 8.60656
152 1Y2W NAG 0.002014 0.44254 9.15493
153 1EXB NDP 0.02465 0.40392 9.70874
154 1MZV AMP 0.003437 0.41019 9.78723
155 1GS5 NLG 0.001407 0.42361 10.8527
156 1GS5 ANP 0.001407 0.42361 10.8527
157 1I7L ATP 0.001509 0.409 11.3269
158 1I2B UPG 0.006551 0.41797 11.8541
159 1I2B USQ 0.006551 0.41797 11.8541
160 1I2B NAD 0.006551 0.41797 11.8541
161 1SG4 CO8 0.0001161 0.40053 12.3077
162 1Y75 NAG 0.004765 0.40945 12.7119
163 1VQ2 DDN 0.0004613 0.41436 12.9534
164 4A3R CIT 0.00397 0.40962 13.0699
165 4KXV TDP DX5 0.006796 0.40427 14.5897
166 2YDW WSH 0.0006208 0.43902 16.9935
167 2OFE NAG 0.002825 0.43602 18.3099
168 2Q37 3AL 0.008657 0.40889 19.8895
169 3R35 4CO 0.00237 0.41279 24.5033
170 1EZV SMA 0.001964 0.40995 38.1818
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