Receptor
PDB id Resolution Class Description Source Keywords
3IU9 1.75 Å EC: 3.4.11.18 M. TUBERCULOSIS METHIONINE AMINOPEPTIDASE WITH NI INHIBITOR T07 MYCOBACTERIUM TUBERCULOSIS ENZYME-INHIBITOR COMPLEX AMINOPEPTIDASE COBALT HYDROLASEMETAL-BINDING PROTEASE
Ref.: CATALYSIS AND INHIBITION OF MYCOBACTERIUM TUBERCULOSIS METHIONINE AMINOPEPTIDASE J.MED.CHEM. V. 53 1329 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:290;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NI A:286;
A:287;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
SO4 A:289;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
T07 A:288;
Valid;
none;
ic50 = 0.24 uM
275.158 C9 H8 Cl2 N4 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IU9 1.75 Å EC: 3.4.11.18 M. TUBERCULOSIS METHIONINE AMINOPEPTIDASE WITH NI INHIBITOR T07 MYCOBACTERIUM TUBERCULOSIS ENZYME-INHIBITOR COMPLEX AMINOPEPTIDASE COBALT HYDROLASEMETAL-BINDING PROTEASE
Ref.: CATALYSIS AND INHIBITION OF MYCOBACTERIUM TUBERCULOSIS METHIONINE AMINOPEPTIDASE J.MED.CHEM. V. 53 1329 2010
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3IU9 ic50 = 0.24 uM T07 C9 H8 Cl2 N4 S c1cc(c(cc1....
2 3IU7 ic50 = 16 uM FCD C11 H7 Cl O3 c1ccc(c(c1....
3 3PKE - Y10 C21 H31 N O5 CC(C)(C)/C....
4 3PKB ic50 = 0.62 uM Y16 C14 H26 N2 O6 CC(C)(C)/C....
5 3PKA ic50 = 0.54 uM Y02 C23 H37 N O6 Cc1cc(c(c(....
6 3PKC ic50 = 0.96 uM Y08 C22 H38 N2 O6 CC(C)(C)/C....
7 3IU8 ic50 = 0.58 uM T03 C9 H8 F N3 S c1cc(ccc1C....
8 3PKD ic50 = 0.76 uM Y10 C21 H31 N O5 CC(C)(C)/C....
9 1YJ3 - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3IU9 ic50 = 0.24 uM T07 C9 H8 Cl2 N4 S c1cc(c(cc1....
2 3IU7 ic50 = 16 uM FCD C11 H7 Cl O3 c1ccc(c(c1....
3 3PKE - Y10 C21 H31 N O5 CC(C)(C)/C....
4 3PKB ic50 = 0.62 uM Y16 C14 H26 N2 O6 CC(C)(C)/C....
5 3PKA ic50 = 0.54 uM Y02 C23 H37 N O6 Cc1cc(c(c(....
6 3PKC ic50 = 0.96 uM Y08 C22 H38 N2 O6 CC(C)(C)/C....
7 3IU8 ic50 = 0.58 uM T03 C9 H8 F N3 S c1cc(ccc1C....
8 3PKD ic50 = 0.76 uM Y10 C21 H31 N O5 CC(C)(C)/C....
9 1YJ3 - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2NQ6 ic50 = 1.5 uM HM4 C14 H16 N4 O3 S CC(C)(C)OC....
2 4U69 Ki = 54.8 uM Q07 C6 H16 N O3 P CCC[C@H](C....
3 2G6P ic50 = 0.6 uM HM2 C18 H17 Cl N4 Cc1c(c(nc(....
4 4U73 Ki = 6.6 uM Q02 C7 H10 N O3 P c1ccc(cc1)....
5 4IKT ic50 = 0.67 uM TFV C18 H16 Cl F3 N6 Cc1c(c(nc(....
6 4U6Z Ki = 3.9 uM Q07 C6 H16 N O3 P CCC[C@H](C....
7 4U70 Ki = 9.5 uM Q04 C8 H18 N O3 P C1CCC(CC1)....
8 4FLI ic50 = 3.59 uM Y16 C14 H26 N2 O6 CC(C)(C)/C....
9 4U6C Ki = 9.9 uM Q06 C8 H18 N O3 P C1CCC(C1)C....
10 4IKR ic50 = 0.59 uM PVP C16 H20 Cl N5 O Cc1c(c(nc(....
11 4FLK ic50 = 5.58 uM Y10 C21 H31 N O5 CC(C)(C)/C....
12 4IKU ic50 = 1.79 uM SHX C19 H18 Cl N5 O Cc1c(c(nc(....
13 2NQ7 ic50 = 2.9 uM HM5 C14 H16 N4 O2 S CC(C)(C)C(....
14 4FLL ic50 = 5.14 uM YZ6 C25 H35 N O6 CC(C)(C)/C....
15 4U71 Ki = 6 uM Q03 C7 H16 N O3 P C1CCC(CC1)....
16 4HXX - 1AY C28 H29 Cl2 N5 Cc1c(c(nc(....
17 4IKS ic50 = 7.23 uM TFD C18 H16 Cl F3 N6 Cc1c(c(nc(....
18 4U6E Ki = 111.6 uM Q02 C7 H10 N O3 P c1ccc(cc1)....
19 4U1B Ki = 4.9 uM Q08 C8 H20 N O3 P CCCC(CCC)[....
20 4FLJ ic50 = 7.45 uM Y08 C22 H38 N2 O6 CC(C)(C)/C....
21 2GG0 ic50 = 1.7 uM U11 C16 H20 F3 N3 O5 C[C@@H](C(....
22 1YVM Ki = 0.4 uM TMG C10 H7 N3 S c1ccc2c(c1....
23 2GU6 - NLP C5 H14 N O3 P CCCC[C@H](....
24 2Q95 ic50 = 1.6 uM A05 C11 H6 Cl N O5 c1cc(c(cc1....
25 2GG8 ic50 = 25 uM U15 C20 H31 N3 O5 Cc1ccc(cc1....
26 2GTX - NLP C5 H14 N O3 P CCCC[C@H](....
27 2EVC ic50 = 0.29 uM FC3 C12 H7 F3 O3 c1ccc(c(c1....
28 4A6W ic50 = 1.9 uM 5C1 C10 H7 Cl N2 O3 c1ccc(c(c1....
29 2GG3 ic50 = 0.58 uM U13 C9 H7 F N6 [H]/N=C/1C....
30 3D27 ic50 = 55.7 uM W29 C12 H12 O2 S CCc1ccsc1c....
31 2GG7 ic50 = 1.75 uM U14 C10 H8 N6 O2 [H]/N=C1/C....
32 2GU5 - NLP C5 H14 N O3 P CCCC[C@H](....
33 1XNZ ic50 = 0.24 uM FCD C11 H7 Cl O3 c1ccc(c(c1....
34 4A6V ic50 = 1.9 uM IKY C11 H7 F3 N2 O3 c1ccc(c(c1....
35 1C21 - MET C5 H11 N O2 S CSCC[C@@H]....
36 2Q92 ic50 = 1.1 uM B23 C11 H7 N O5 c1ccc(c(c1....
37 1C27 - NLP C5 H14 N O3 P CCCC[C@H](....
38 1C24 - MPJ C4 H12 N O2 P S CSCC[C@H](....
39 2EVO ic50 = 0.067 uM CT0 C10 H13 N3 O2 S c1csc(n1)N....
40 2P99 ic50 = 1.16 uM YE6 C11 H9 Cl N2 O2 c1ccc(c(c1....
41 2GG9 ic50 = 3.5 uM U16 C22 H35 N3 O5 CC(C)C[C@H....
42 2Q94 ic50 = 0.37 uM A04 C12 H7 F3 O4 c1ccc(c(c1....
43 2P98 Ki = 0.64 uM YE7 C12 H10 N4 O c1ccc2c(c1....
44 2GGB ic50 = 12 uM U17 C17 H33 N3 O6 CCCC[C@H](....
45 2EVM ic50 = 0.693 uM FC2 C11 H6 Cl2 O3 c1cc(c(cc1....
46 1C22 - MF3 C5 H8 F3 N O2 S C(CSC(F)(F....
47 1C23 - MPH C4 H12 N O3 P S CSCC[C@H](....
48 2Q96 ic50 = 1.2 uM A18 C12 H9 Cl O3 c1ccc(c(c1....
49 2BB7 ic50 = 2.14 uM QMS C10 H10 N2 O2 S CS(=O)(=O)....
50 2GG2 ic50 = 0.25 uM U12 C10 H7 F3 N6 c1cc(cc(c1....
51 2GGC - MET C5 H11 N O2 S CSCC[C@@H]....
52 2GU4 - NLP C5 H14 N O3 P CCCC[C@H](....
53 2Q93 ic50 = 0.56 uM B21 C12 H10 O4 COc1ccccc1....
54 2GG5 ic50 = 0.25 uM U19 C10 H7 F3 N6 [H]/N=C1/C....
55 3MAT - AHH ALA LEU VAL 0A9 n/a n/a
56 2P9A ic50 = 6.56 uM YE6 C11 H9 Cl N2 O2 c1ccc(c(c1....
57 4IU6 - FZ1 C24 H23 N5 O COc1ccc(cc....
58 1QXZ ic50 ~ 19 uM M3C C8 H14 N2 O2 S2 CSCC[C@@H]....
59 1QXY ic50 ~ 16 uM M2C C10 H16 N2 O2 S CSCC[C@@H]....
60 1QXW ic50 ~ 7 uM M1C C10 H22 N2 O2 CCCC[C@@H]....
61 3IU9 ic50 = 0.24 uM T07 C9 H8 Cl2 N4 S c1cc(c(cc1....
62 3IU7 ic50 = 16 uM FCD C11 H7 Cl O3 c1ccc(c(c1....
63 3PKE - Y10 C21 H31 N O5 CC(C)(C)/C....
64 3PKB ic50 = 0.62 uM Y16 C14 H26 N2 O6 CC(C)(C)/C....
65 3PKA ic50 = 0.54 uM Y02 C23 H37 N O6 Cc1cc(c(c(....
66 3PKC ic50 = 0.96 uM Y08 C22 H38 N2 O6 CC(C)(C)/C....
67 3IU8 ic50 = 0.58 uM T03 C9 H8 F N3 S c1cc(ccc1C....
68 3PKD ic50 = 0.76 uM Y10 C21 H31 N O5 CC(C)(C)/C....
69 1YJ3 - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T07; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 T07 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IU9; Ligand: T07; Similar sites found: 459
This union binding pocket(no: 1) in the query (biounit: 3iu9.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DN8 BMA 0.0001632 0.54035 None
2 3KPE TM3 0.0005281 0.51481 None
3 4F4S EFO 0.02945 0.41804 None
4 1X92 M7P 0.03109 0.40565 None
5 2YDW WSH 0.03376 0.40755 0.653595
6 1SS4 GSH 0.0003949 0.57865 1.30719
7 1SS4 CIT 0.00687 0.45492 1.30719
8 2BII MTV 0.008433 0.40378 1.38889
9 2G30 ALA ALA PHE 0.002061 0.47061 1.55039
10 2QQ0 THM 0.001174 0.41894 1.63043
11 2QQ0 ANP 0.001157 0.41361 1.63043
12 3E5H GNP 0.002084 0.42243 1.68539
13 4BPM GSH 0.005351 0.40528 1.68539
14 2Q1A 2KT 0.0001499 0.47084 1.73611
15 4QCK ASD 0.00006672 0.47079 1.73611
16 4HZO COA 0.003405 0.46243 1.73611
17 1WRA PC 0.01152 0.45345 1.73611
18 3L6R MLI 0.02169 0.43911 1.73611
19 1T10 F6P 0.02142 0.42917 1.73611
20 1WDA BAG 0.0191 0.42271 1.73611
21 1JQI FAD 0.0003744 0.41501 1.73611
22 3SUT OAN 0.02559 0.41389 1.73611
23 2BJF DXC 0.0001619 0.41234 1.73611
24 3EE4 MYR 0.01294 0.40253 1.73611
25 1FX8 BOG 0.003006 0.43725 1.77936
26 1MXI SAH 0.003129 0.43277 1.875
27 1WNG SAH 0.01214 0.40651 1.88679
28 2QCX PF1 0.02922 0.42254 1.90114
29 1EB9 HBA 0.00693 0.43413 1.9084
30 2FEQ 34P 0.007904 0.42033 1.9305
31 2C2A ADP 0.02073 0.40339 1.93798
32 2F2U M77 0.0008857 0.47824 2.08333
33 3NFZ 3NF 0.001287 0.46586 2.08333
34 4Q0A 4OA 0.00127 0.44815 2.08333
35 3P3N AKG 0.01131 0.44806 2.08333
36 1H16 PYR 0.0292 0.43792 2.08333
37 4KCT FDP 0.008489 0.4303 2.08333
38 2I3G NAP 0.0003644 0.42627 2.08333
39 4KCT PYR 0.02074 0.42106 2.08333
40 4Q3S X7A 0.001478 0.42 2.08333
41 2QV7 ADP 0.01651 0.41065 2.08333
42 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.01225 0.40942 2.08333
43 1JX6 AI2 0.0449 0.40841 2.08333
44 2WA4 069 0.03046 0.4064 2.08333
45 4G1V FAD 0.0001659 0.40181 2.08333
46 3DG6 MUC 0.03362 0.40088 2.08333
47 1CBF SAH 0.003732 0.43736 2.10526
48 3BY8 MLT 0.009293 0.4583 2.11268
49 2Y7G AAE 0.002362 0.44555 2.12766
50 2DWU DGL 0.004021 0.45383 2.17391
51 1C1L GAL BGC 0.003523 0.48016 2.18978
52 2B7N NTM 0.01566 0.43583 2.1978
53 1F7K UMP 0.0008589 0.42786 2.20588
54 2Q37 3AL 0.005324 0.45868 2.20994
55 2JBH 5GP 0.0186 0.42324 2.22222
56 2HJ9 AI2 0.04993 0.40588 2.26244
57 2HV8 GTP 0.002357 0.42055 2.32558
58 1UNB PN1 0.000007482 0.4338 2.43056
59 3VOZ 04A 0.003912 0.43264 2.43056
60 4MOB ADP 0.005045 0.43005 2.43056
61 1ML4 PAL 0.001921 0.42527 2.43056
62 2P2V CSF 0.000006987 0.42517 2.43056
63 1UNB AKG 0.00004024 0.42397 2.43056
64 3WAS BGC BMA 0.0007054 0.41752 2.43056
65 1JQN DCO 0.000586 0.41725 2.43056
66 4IHQ ADP 0.02533 0.41704 2.43056
67 2ZI8 SDT 0.03579 0.40993 2.43056
68 3OYZ ACO 0.0006256 0.40748 2.43056
69 4CML 52N 0.004952 0.40246 2.43056
70 2R5T ANP 0.01331 0.40207 2.43056
71 3QSB 743 0.0464 0.40032 2.43056
72 1B5E DCM 0.008222 0.43957 2.43902
73 3IPQ 965 0.00233 0.40668 2.4735
74 3WSJ MK1 0.000006468 0.43121 2.58621
75 2QTR NXX 0.002619 0.40256 2.6455
76 3OCZ SRA 0.001095 0.45488 2.67176
77 1RZM E4P 0.00429 0.47573 2.77778
78 4IU0 ABH 0.000251 0.46262 2.77778
79 2IZ1 ATR 0.007579 0.45681 2.77778
80 1HV9 UD1 0.00007529 0.44716 2.77778
81 3K3G MMU 0.01022 0.44235 2.77778
82 3L02 SN0 0.0002174 0.43312 2.77778
83 3L02 CP 0.0002174 0.43312 2.77778
84 1VCO GLN 0.0007725 0.43097 2.77778
85 4L1F COS 0.002087 0.42558 2.77778
86 1U5R ATP 0.007655 0.42447 2.77778
87 2Q28 ADP 0.005762 0.41898 2.77778
88 1HV9 COA 0.00003458 0.41428 2.77778
89 1FWY UD1 0.001282 0.4096 2.77778
90 1L8N GCW 0.006865 0.407 2.77778
91 2WNF CG3 A2G GAL 0.009096 0.40687 2.77778
92 1F3L SAH 0.00912 0.40535 2.77778
93 4MP8 MLI 0.0007141 0.40468 2.77778
94 4MP8 NAD 0.0007141 0.40468 2.77778
95 4L1F FAD 0.00132 0.40423 2.77778
96 3WG3 A2G GAL NAG FUC 0.02368 0.42535 2.80899
97 1LYX PGA 0.005238 0.43524 2.82258
98 2DT5 NAD 0.002791 0.40419 2.8436
99 3NOJ PYR 0.001241 0.4862 2.94118
100 2ORV 4TA 0.001706 0.42549 2.99145
101 4B16 NAG 0.01646 0.46557 3.00752
102 2PR5 FMN 0.009984 0.41293 3.0303
103 1VE3 SAM 0.01276 0.40873 3.0837
104 4M7F BM3 0.01402 0.43338 3.09735
105 1O9U ADZ 0.01704 0.45726 3.125
106 4PB2 5UD 0.001142 0.44996 3.125
107 3HAZ FAD 0.000201 0.43725 3.125
108 3HPF GAE 0.00008145 0.43672 3.125
109 3MMR ABH 0.0008138 0.43344 3.125
110 4C2G ALA ALA ALA ALA 0.01519 0.4273 3.125
111 3P7I P7I 0.02447 0.42188 3.125
112 4L7I SAM 0.00878 0.41849 3.125
113 2CE7 ADP 0.01399 0.41713 3.125
114 3B20 NAD 0.002925 0.41432 3.125
115 1EJE FMN 0.009972 0.41295 3.125
116 2REG CHT 0.03284 0.41274 3.125
117 2PP3 LGT 0.01891 0.41157 3.125
118 3SIX GDP 0.03016 0.40662 3.125
119 3DGB MUC 0.03076 0.40585 3.125
120 2RCN GDP 0.04011 0.40415 3.125
121 2WL9 MBD 0.006954 0.40402 3.125
122 1T26 NAI 0.0001397 0.4029 3.125
123 1T26 GBD 0.0001397 0.4029 3.125
124 3PXP MYR 0.02217 0.4022 3.125
125 1XVA SAM 0.01604 0.40184 3.125
126 1A5Z OXM 0.003774 0.48585 3.1348
127 1A5Z FBP 0.004427 0.42337 3.1348
128 2JL1 NAP 0.004582 0.41634 3.13589
129 1YOA FMN 0.002066 0.52875 3.14465
130 1YOA FAD 0.003987 0.41856 3.14465
131 1EYQ NAR 0.001726 0.47065 3.15315
132 1J3R 6PG 0.03028 0.41007 3.15789
133 3K9W ADE 0.00004823 0.4138 3.20856
134 3K9W 4PS 0.00004823 0.4138 3.20856
135 4COQ SAN 0.02156 0.43392 3.23887
136 1Q6O LG6 0.02394 0.40393 3.24074
137 2E2R 2OH 0.0004448 0.41811 3.27869
138 1UCN ADP 0.01862 0.41185 3.28947
139 1MZV AMP 0.005944 0.44139 3.40426
140 2Y6P CTP 0.01859 0.41924 3.4188
141 2FR6 CTN 0.002253 0.43837 3.42466
142 2FR6 URI 0.00366 0.43009 3.42466
143 1RYI GOA 0.01769 0.47881 3.47222
144 4LKK SIA GAL 0.0002628 0.47501 3.47222
145 2Q09 DI6 0.002099 0.46676 3.47222
146 1FBL HTA 0.001823 0.46428 3.47222
147 2YIV YIV 0.0107 0.46152 3.47222
148 4M51 BEZ 0.01867 0.44845 3.47222
149 1I0Z OXM 0.02457 0.44832 3.47222
150 2JC9 ADN 0.007898 0.44518 3.47222
151 9LDT OXM 0.03994 0.44297 3.47222
152 2YIV NBN 0.03004 0.43169 3.47222
153 3CEV ARG 0.01721 0.42481 3.47222
154 3QV9 QV7 0.02674 0.42444 3.47222
155 4GNC ASO 0.02275 0.42284 3.47222
156 4DEC 3PG 0.001731 0.41916 3.47222
157 4DEC UDP 0.001731 0.41916 3.47222
158 1A27 EST 0.0109 0.41813 3.47222
159 3GJB AKG 0.0251 0.41722 3.47222
160 2EJU SAH 0.008546 0.4156 3.47222
161 1PX8 XYP 0.04124 0.41515 3.47222
162 4FFG 0U8 0.02557 0.41057 3.47222
163 4J7H TRH 0.01049 0.40896 3.47222
164 3TI8 LNV 0.0003586 0.40809 3.47222
165 2FFC U5P 0.01379 0.4074 3.47222
166 2YYJ FAD 0.00004517 0.40732 3.47222
167 2YYJ 4HP 0.00004517 0.40732 3.47222
168 1UF5 CDT 0.0353 0.40667 3.47222
169 4J7H TLO 0.01459 0.40643 3.47222
170 1KBI PYR 0.004441 0.40536 3.47222
171 1KBI FMN 0.004441 0.40536 3.47222
172 4JK3 NAD 0.003273 0.40452 3.4749
173 3LTW HLZ 0.007238 0.45782 3.57143
174 3I8T LBT 0.005729 0.45177 3.65854
175 1ECM TSA 0.00359 0.45609 3.66972
176 1Q3P GLU ALA GLN THR ARG LEU 0.03792 0.4089 3.66972
177 4LO6 SIA GAL 0.00003677 0.58809 3.68421
178 5DRN 5CT 0.005899 0.48714 3.7037
179 3EW2 BTN 0.01347 0.42971 3.7037
180 1I36 NAP 0.006033 0.40902 3.78788
181 1TV5 ORO 0.00003491 0.51796 3.81944
182 2NZ2 ASP 0.0003235 0.5106 3.81944
183 2YP9 SIA CMO 0.00006366 0.50734 3.81944
184 3I0O SMI 0.005392 0.45841 3.81944
185 1TV5 A26 0.000616 0.44832 3.81944
186 3O2K DST 0.0108 0.43874 3.81944
187 3O2K QRP 0.009388 0.43253 3.81944
188 2NZ2 CIR 0.0007809 0.43081 3.81944
189 4OJP MAL 0.01361 0.42891 3.81944
190 1TV5 N8E 0.004217 0.42767 3.81944
191 1FP2 SAH 0.008125 0.42716 3.81944
192 4LIT AKG 0.02611 0.42495 3.81944
193 4AF0 MOA 0.002248 0.42128 3.81944
194 3T1A 5MA 0.007256 0.4184 3.81944
195 1Z4V DAN 0.01795 0.41612 3.81944
196 2OWZ CIT 0.0493 0.41563 3.81944
197 2OWZ F6P 0.01235 0.41249 3.81944
198 2Q8M AMP 0.02306 0.41135 3.81944
199 1TV5 FMN 0.0001778 0.4113 3.81944
200 4AF0 IMP 0.000061 0.40854 3.81944
201 3I0O ADP 0.03348 0.40771 3.81944
202 1RHC F42 ACN 0.002638 0.40497 3.81944
203 1FP2 HMO 0.02325 0.40447 3.81944
204 2P8B NSK 0.0002209 0.40382 3.81944
205 1NHZ 486 0.01235 0.4005 3.92857
206 1XE7 GUN 0.04651 0.43263 3.94089
207 3L0E G58 0.003568 0.40857 3.95257
208 2ZO9 MLI 0.004648 0.44388 4.0146
209 3A2Y TS5 0.02223 0.40215 4.06091
210 3CI3 3PO 0.002 0.41144 4.12371
211 3CI3 5AD 0.002 0.41144 4.12371
212 4RJK PYR 0.008173 0.46781 4.16667
213 2BO4 FLC 0.006151 0.46761 4.16667
214 2C9O ADP 0.0000814 0.44613 4.16667
215 1YHM AHD 0.009739 0.4459 4.16667
216 3U1T MLI 0.02943 0.43216 4.16667
217 4P87 4NP 0.0009534 0.42789 4.16667
218 3CF6 SP1 0.01025 0.41924 4.16667
219 1F1V DHY 0.03763 0.40905 4.16667
220 3MD0 GDP 0.03798 0.40887 4.16667
221 4RJK TDL 0.002503 0.40569 4.16667
222 1N6B DMZ 0.0007031 0.40487 4.16667
223 4RJK TPP 0.00415 0.40372 4.16667
224 4DSU BZI 0.02733 0.42437 4.2328
225 1JH7 UVC 0.04294 0.41428 4.2328
226 1G8S MET 0.03139 0.42565 4.34783
227 3SJ7 NDP 0.0007107 0.42599 4.36508
228 3W8S GSH 0.01101 0.4433 4.36893
229 1QDS PGA 0.00621 0.44054 4.38247
230 2IMF GSH 0.004466 0.41079 4.4335
231 2IMF TOM 0.004466 0.41079 4.4335
232 1I2L DCS 0.001303 0.44377 4.46097
233 2VQ5 HBA 0.04777 0.42106 4.47761
234 5AYC BGC BMA 0.0008624 0.43761 4.51389
235 2BH9 NAP 0.006357 0.42781 4.51389
236 3V91 UPG 0.004654 0.4161 4.51389
237 2VHJ ADP 0.007366 0.41487 4.51389
238 3K37 BCZ 0.00002185 0.41118 4.51389
239 4ASJ N6A 0.005454 0.41059 4.51389
240 2VRQ XYP XYP AHR 0.02282 0.40607 4.51389
241 2AG8 NAP 0.004235 0.42079 4.56274
242 3SQG COM 0.008905 0.48112 4.61894
243 4JWX 1N4 0.007959 0.44502 4.64286
244 1ULE GLA GAL NAG 0.004033 0.4843 4.66667
245 1A8S PPI 0.001099 0.47142 4.7619
246 4IAE 1DX 0.000007242 0.40175 4.7619
247 3W6X HZP 0.002102 0.4759 4.80349
248 3SHR CMP 0.001026 0.47539 4.86111
249 2Z9V PXM 0.002886 0.46582 4.86111
250 1PEA ACM 0.01465 0.45415 4.86111
251 3BK2 U5P 0.003759 0.44567 4.86111
252 4QN6 LNV 0.0000324 0.442 4.86111
253 4LCQ URQ 0.0003267 0.43691 4.86111
254 1QO0 BMD 0.03123 0.42576 4.86111
255 3I8P 840 0.009072 0.42143 4.86111
256 1V6A TRE 0.03439 0.41905 4.86111
257 4C6F DOR 0.0226 0.41542 4.86111
258 4C6F NCD 0.0226 0.41542 4.86111
259 2NCD ADP 0.04203 0.41475 4.86111
260 1N1G BCP 0.0004953 0.41412 4.86111
261 2QF7 COA 0.03438 0.40046 4.86111
262 1YBH FAD 0.0001287 0.40007 4.86111
263 3E81 SLB 0.01126 0.44282 4.87805
264 2J5S KTA 0.00002525 0.51494 4.94297
265 3R51 MMA 0.03889 0.43705 5
266 1JN2 SFP 0.006969 0.49788 5.06329
267 3IBH GSH 0.01107 0.40806 5.15021
268 1NU4 MLA 0.01657 0.42557 5.15464
269 2O66 FLC 0.03551 0.41837 5.18518
270 4LHM AZZ 0.01318 0.4395 5.20833
271 2Z5Y HRM 0.0003162 0.43737 5.20833
272 4A8H PUW 0.000904 0.41832 5.20833
273 1OYB HBA 0.002707 0.41262 5.20833
274 4E8C GAL 0.0404 0.40709 5.20833
275 1O0S NAI 0.007456 0.40571 5.20833
276 2WVZ KIF 0.03507 0.40326 5.20833
277 4PTZ FMN 0.009125 0.41781 5.2356
278 3KMZ EQO 0.004625 0.40477 5.26316
279 1I82 BGC BGC 0.0422 0.41062 5.29101
280 3VGL BGC 0.002612 0.40769 5.29595
281 2BOI MFU 0.001708 0.47656 5.30973
282 2QHS OCA 0.02768 0.41211 5.48523
283 4IEN GDP 0.0002387 0.4464 5.52147
284 4IEN COA 0.001155 0.41099 5.52147
285 2ZWS PLM 0.0006214 0.56033 5.55556
286 1O7N IND 0.00004998 0.48832 5.55556
287 2QLX RM4 0.01039 0.45578 5.55556
288 3PLN U5P 0.01291 0.43507 5.55556
289 1H65 GDP 0.01366 0.40165 5.55556
290 3SJ0 DXC 0.02007 0.44088 5.6338
291 4TMK T5A 0.0002004 0.4063 5.6338
292 2IYG FMN 0.00578 0.43756 5.64516
293 1LSS NAD 0.01377 0.40151 5.71429
294 3TKA CTN 0.004043 0.51082 5.76369
295 3TKA SAM 0.01119 0.40492 5.76369
296 1JCM 137 0.0001685 0.44622 5.79151
297 1MK1 APR 0.009752 0.40428 5.7971
298 2HFK E4H 0.009125 0.44221 5.90278
299 1YBQ BDH 0.0003174 0.41969 5.90278
300 1Q11 TYE 0.03256 0.41596 5.90278
301 1SQ5 PAU 0.03758 0.41297 5.90278
302 1SQ5 ADP 0.02601 0.40906 5.90278
303 3HB5 E2B 0.006781 0.40441 5.90278
304 3ULK NDP 0.01042 0.40321 5.90278
305 4UAL 3FV 0.02479 0.40023 5.90278
306 1J2Z SOG 0.002486 0.44258 5.92593
307 3KO0 TFP 0.04486 0.40793 5.94059
308 1K27 MTM 0.001477 0.40772 6.00707
309 1GU3 BGC BGC BGC BGC BGC 0.009929 0.44048 6.04027
310 3VCA PRO 0.005277 0.45611 6.25
311 3GTD MLI 0.01248 0.44065 6.25
312 2ZJ5 ADP 0.01993 0.43071 6.25
313 3T7V MD0 0.02074 0.42686 6.25
314 4OB6 S2T 0.008493 0.42261 6.25
315 1RGE 2GP 0.04162 0.41142 6.25
316 3SAO DBH 0.02632 0.41012 6.25
317 4KS1 2H8 0.0001789 0.40651 6.25
318 3DER ALA LYS 0.01191 0.40389 6.25
319 1NYT NAP 0.005941 0.40371 6.27306
320 4JP3 CIT 0.0417 0.40002 6.27615
321 1NXJ GLV 0.0009788 0.48193 6.55738
322 1NXJ TLA 0.02513 0.4015 6.55738
323 1JA9 NDP 0.000002764 0.42509 6.56934
324 2VAR KDF 0.002684 0.45202 6.59722
325 2VAR KDG 0.005411 0.4388 6.59722
326 4KOA NDP 0.006587 0.42352 6.59722
327 2VAR AMP 0.0167 0.42133 6.59722
328 2C5S AMP 0.02481 0.41746 6.59722
329 3PD6 PMP 0.02825 0.41165 6.59722
330 3PDB PMP 0.02787 0.40838 6.59722
331 2OAT PFM 0.02059 0.40351 6.59722
332 3DUR KDO 0.0332 0.41981 6.61157
333 1NVV GNP 0.002524 0.41652 6.62651
334 1NVU GTP 0.000004309 0.40999 6.62651
335 3EJ0 11X 0.0001155 0.53549 6.63265
336 2E1A MSE 0.003989 0.45399 6.66667
337 1Y7P RIP 0.002843 0.49245 6.72646
338 5DS8 GLY 5CT GLY ALA 0.04945 0.42542 6.75676
339 1S8F GDP 0.002425 0.41423 6.77966
340 3UEC ALA ARG TPO LYS 0.006508 0.46634 6.84932
341 1GPJ CIT 0.003532 0.47346 6.94444
342 4W6Z ETF 0.031 0.44262 6.94444
343 3V1V GST 0.005403 0.42699 6.94444
344 1KYZ SAH 0.005014 0.42472 6.94444
345 1KYZ FER 0.002261 0.41244 6.94444
346 4FUA PGH 0.0007685 0.43105 6.97674
347 2ZSC BTN 0.01812 0.41236 7.0922
348 3QP4 HL0 0.0035 0.43851 7.14286
349 2O4J VD4 0.001439 0.42187 7.29167
350 4GQB 0XU 0.000005359 0.40671 7.29167
351 1C7S CBS 0.03521 0.40327 7.29167
352 1H8G CHT 0.002476 0.52399 7.36842
353 3KJQ B94 0.008456 0.43037 7.36842
354 1JSH SIA GAL 0.0005445 0.45029 7.38636
355 3I7V B4P 0.0446 0.41557 7.46269
356 1BTN I3P 0.0311 0.46456 7.54717
357 4WBD ADP 0.0007691 0.5144 7.63889
358 4WBD CIT 0.01457 0.45428 7.63889
359 1Z44 FMN 0.00391 0.44061 7.63889
360 1Z41 FMN 0.005152 0.43158 7.63889
361 1Z48 FMN 0.005182 0.43148 7.63889
362 1QS8 IVA VAL VAL STA ALA STA 0.01394 0.40721 7.63889
363 3F81 STT 0.0007526 0.53283 7.65027
364 3CH5 GDP 0.002207 0.4 7.69231
365 1T66 FLU 0.03321 0.40796 7.72727
366 3VYK MMA MAN NAG MAN NAG NAG 0.04597 0.40783 7.75194
367 1EXB NDP 0.00001867 0.40949 7.76699
368 1F5F DHT 0.006837 0.42287 7.80488
369 4G87 UD1 0.000001492 0.45052 7.98611
370 2JFV FLC 0.01747 0.43855 7.98611
371 3TFC PEP 0.02178 0.42429 7.98611
372 1CKM GTP 0.01791 0.42401 7.98611
373 3O55 FAD 0.003231 0.41283 8
374 2F59 INI 0.01967 0.40129 8.28025
375 1Y9Q MED 0.001281 0.49554 8.33333
376 4DYO SD4 0.00765 0.44101 8.33333
377 4M5P MLA 0.04912 0.43765 8.33333
378 1E4E PHY 0.006295 0.42799 8.33333
379 2DDH HXD 0.01286 0.40263 8.33333
380 1SJW NGV 0.0288 0.40112 8.33333
381 4IAW LIZ 0.04466 0.40474 8.51064
382 4N7C AEF 0.0239 0.4369 8.52273
383 1QD0 RR6 0.005582 0.43821 8.59375
384 2FH5 GTP 0.00001547 0.43302 8.64865
385 2XDQ MGX 0.02972 0.44366 8.68056
386 4QDC ASD 0.0003592 0.44048 8.68056
387 4QDF 30Q 0.001113 0.4241 8.68056
388 1S5O 152 0.02833 0.42132 8.68056
389 3GM5 CIT 0.03263 0.42479 8.80503
390 3SJU NDP 0.0009318 0.41653 8.96057
391 4F8L GAL 0.003048 0.51852 8.96552
392 1V8K ANP 0.000937 0.41645 9.02778
393 1T0S BML 0.02166 0.44497 9.375
394 3HF3 FMN 0.004543 0.41964 9.45559
395 3RF4 FUN 0.001794 0.47555 9.48276
396 4EXO PYR 0.0006298 0.52756 9.58904
397 1DBT U5P 0.01116 0.41102 9.62343
398 1XX4 BAM 0.0001017 0.53813 9.96169
399 2GJN NIS 0.0009596 0.42473 10.0694
400 3JQ3 ADP 0.03173 0.409 10.0694
401 3F8C HT1 0.03159 0.42087 10.3175
402 4NTX AMR 0.00437 0.46003 10.4167
403 3QDY CBS 0.017 0.44463 10.4895
404 3QDT A2G GAL 0.02257 0.44399 10.4895
405 3QDY A2G GAL 0.0394 0.43083 10.4895
406 1YRX FMN 0.005342 0.43093 10.7438
407 1KTC NGA 0.007148 0.44723 10.7639
408 1GJW GLC 0.01937 0.44168 10.7639
409 1GJW MAL 0.04453 0.40209 10.7639
410 4G28 0W8 0.03439 0.41087 10.7843
411 2YKL NLD 0.02704 0.40905 10.8491
412 1WKL ATP 0.00006362 0.49919 10.9489
413 1WKL ADP 0.00306 0.43315 10.9489
414 1T0I FMN 0.01301 0.40839 10.9948
415 2FOI JPA 0.02118 0.41668 11.1524
416 1UW1 ADP 0.01944 0.43124 11.25
417 1QKQ MAN 0.02156 0.40378 11.2676
418 5RHN 8BR 0.00051 0.47299 11.3043
419 3L24 GOA 0.000004788 0.61445 11.4583
420 4ZWP M44 0.003366 0.51591 11.4583
421 1FW1 GSH 0.003569 0.44229 11.5741
422 3SCH TB6 0.04359 0.41837 11.6162
423 3NGU ADP 0.001197 0.46234 11.9205
424 1ZZ7 S0H 0.01008 0.44017 12.1212
425 1V5F TPP 0.0006 0.4057 12.1528
426 1V5F FAD 0.0006 0.4057 12.1528
427 2BZ1 TAU 0.0327 0.45579 12.2449
428 1ZJ6 G3D 0.007226 0.43334 12.2995
429 4PNO U5P 0.03174 0.40195 12.5
430 2Q2V NAD 0.0003184 0.42518 12.549
431 3I51 45C 0.001605 0.46171 12.5926
432 1A59 CIT 0.04242 0.42379 12.8472
433 1B4P GPS 0.008951 0.4148 12.9032
434 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.001987 0.48391 13.1579
435 1GV0 NAD 0.002544 0.40547 13.1944
436 3TN7 NJP 0.001478 0.41029 13.2296
437 4K30 NLG 0.01442 0.4328 13.75
438 3KMT SAH 0.0006021 0.47495 14.2857
439 3S9K CIT 0.001313 0.55627 14.4068
440 4G4S LDZ 0.01127 0.41411 14.4144
441 1TH8 ADP 0.002334 0.4595 14.4828
442 4U9W COA 0.01181 0.4085 14.4928
443 2HVK TBA 0.004886 0.46639 14.5161
444 3UXL CFI 0.0000131 0.44056 14.9306
445 3ZZS TRP 0.0004669 0.41486 15.3846
446 2FYU FDN 0.02041 0.40065 15.4545
447 1IG3 VIB 0.003602 0.40067 17.1103
448 2HNK SAH 0.006508 0.41694 17.1548
449 1UJ2 ADP 0.001958 0.42032 19.0476
450 2P8O BVA 0.01316 0.41138 19.084
451 1CHM CMS 0.001138 0.49838 19.0972
452 1TUV VK3 0.01834 0.45546 21.0526
453 1L3I SAH 0.0006074 0.43449 24.4792
454 1Y75 NAG 0.001282 0.47657 24.5763
455 1OGD RIP 0.02297 0.4232 25.1908
456 3MTW M3R 0.00425 0.43503 27.0833
457 4S00 AKR 0.04491 0.44886 32.9861
458 4CCO OGA 0.01132 0.43777 35
459 5M4Q PRO 0.001805 0.52665 40.2778
Pocket No.: 2; Query (leader) PDB : 3IU9; Ligand: T07; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 3iu9.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KY9 GDP 0.02547 0.40696 1.38889
2 5KXQ GDP 0.03324 0.40446 1.38889
3 4KBA 1QM 0.02489 0.40746 2.08333
4 5D3X 4IP 0.0415 0.40469 4.19162
5 5KEW 6SB 0.02632 0.41709 11.8056
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