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Receptor
PDB id Resolution Class Description Source Keywords
4C2Z 2.08 Å EC: 2.3.1.97 HUMAN N-MYRISTOYLTRANSFERASE (NMT1) WITH MYRISTOYL-COA AND INHIBITOR BOUND HOMO SAPIENS TRANSFERASE MYRISTOYLATION
Ref.: CHEMICAL PROTEOMICS DEFINES THE MAMMALIAN N- MYRIST PROTEOME IN LIVE CELLS GLOBAL PROFILING OF CO- AND POST-TRANSLATIONALLY N-MYRISTOYLATED PROTEOMES IN H CELLS. NAT.COMMUN. V. 5 4919 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT B:1500;
A:1500;
Invalid;
Invalid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
646 B:1498;
A:1498;
Valid;
Valid;
none;
none;
ic50 = 17 nM
495.425 C21 H24 Cl2 N6 O2 S Cc1c(...
MYA A:1497;
B:1497;
Valid;
Valid;
none;
none;
submit data
977.89 C35 H62 N7 O17 P3 S CCCCC...
GOL A:1502;
A:1501;
B:1501;
B:1502;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL B:1506;
B:1507;
A:1504;
B:1505;
A:1505;
A:1503;
B:1503;
B:1504;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:1499;
B:1499;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MU6 1.88 Å EC: 2.3.1.97 HUMAN N-MYRISTOYLTRANSFERASE (NMT1) WITH MYRISTOYL-COA AND I INHIBITOR BOUND HOMO SAPIENS N-MYRISTOYLATION INHIBITOR RHINOVIRUS CAPSULE ASSEMBLY TR
Ref.: FRAGMENT-DERIVED INHIBITORS OF HUMAN N-MYRISTOYLTRA BLOCK CAPSID ASSEMBLY AND REPLICATION OF THE COMMON VIRUS. NAT CHEM V. 10 599 2018
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
2 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
3 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
4 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
5 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
6 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
7 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
8 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
2 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
17 5AG5 - DLR C17 H15 N3 O S c1ccc(cc1)....
18 4CYO Ki = 1.6 nM UEK C29 H30 Cl2 F N3 O3 c1cc(ccc1C....
19 2WSA Kd = 1 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
20 4A2Z - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
21 4UCP Kd = 200 uM 9X3 C13 H20 N2 O CNCc1cccc(....
22 4A33 - PS8 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
23 4CYP - A62 C21 H23 Cl2 N O3 c1cc(ccc1C....
24 4UCM Kd = 180 uM X6W C12 H15 N3 CNCc1cc(nn....
25 5G21 - YN4 C25 H27 N5 O3 S CCOC(=O)c1....
26 6GNS - F65 C30 H43 N3 O4 S CN1CCC(CC1....
27 4CYQ Ki = 59 nM YAU C29 H29 Cl2 F N2 O4 c1cc(ccc1C....
28 4CGP - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
29 6GNT - F5Q C29 H38 N4 O2 S CN1CCC(CC1....
30 2WUU ic50 = 68.7 nM NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
31 5AG6 - 5PE C16 H16 N2 O3 S COc1cc(ccc....
32 4CGL ic50 = 0.031 uM A6K C21 H24 Cl2 N2 O2 c1cc(ccc1C....
33 5AGE - M9M C23 H31 N3 O3 Cc1cc(no1)....
34 6GNU - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
35 5A27 Ki = 0.02 uM TUT C21 H24 Cl N3 O3 [H]/N=C(Cc....
36 4A32 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
37 4C7H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
38 4UCN - JRB C10 H15 N3 c1ccc(c(c1....
39 4C7I - JJ1 C27 H52 N4 O5 C1CCC(CC1)....
40 6GNV - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
41 4CGN ic50 = 0.55 uM 7AH C21 H22 F N3 O c1cc(ccc1C....
42 5AG4 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
43 5G20 - QBY C23 H24 N2 O3 S CCSc1c2cc(....
44 4A30 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
45 4CGM ic50 = 1.02 uM CWZ C27 H28 N4 S c1cc(cc(c1....
46 4A31 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
47 5A28 Ki = 0.01 uM TUQ C20 H24 Cl N5 O2 Cc1c(c(n(n....
48 4CGO ic50 = 0.299 uM 6KV C17 H24 N6 S CN1CCC(CC1....
49 4CYN Ki = 1406 nM A6M C21 H24 Cl2 N2 O2 c1cc(ccc1C....
50 6GNH - F4T C21 H26 N2 O5 S COc1ccc(cc....
51 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
52 4QBJ - 2XQ C25 H23 F3 N2 O3 Cc1c(oc2c1....
53 4UWJ - 7L5 C21 H28 Cl2 F2 N4 O2 S Cc1c(c(n(n....
54 4UWI - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
55 1IIC - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
56 1IID - NHM C36 H64 N7 O17 P3 S CCCCCCCCCC....
57 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
58 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
59 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
60 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
61 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
62 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
63 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
64 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
65 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 646; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 646 1 1
2 PS8 0.725 1
3 2CD 0.5 0.814815
4 QMI 0.467532 0.759494
5 XMQ 0.44086 0.876543
Ligand no: 2; Ligand: MYA; Similar ligands found: 135
No: Ligand ECFP6 Tc MDL keys Tc
1 UCC 1 1
2 MFK 1 1
3 5F9 1 1
4 ST9 1 1
5 DCC 1 1
6 MYA 1 1
7 CO8 0.992126 1
8 HXC 0.945736 1
9 BCO 0.877863 0.977528
10 YNC 0.876812 0.945055
11 HDC 0.862319 1
12 GRA 0.859259 0.955556
13 1HE 0.849624 0.956044
14 1VU 0.848485 0.988764
15 SCA 0.837037 0.955556
16 IVC 0.835821 0.966292
17 3HC 0.835821 0.966292
18 MRS 0.829787 1
19 MRR 0.829787 1
20 CS8 0.828571 0.988889
21 NHM 0.822695 0.977778
22 NHW 0.822695 0.977778
23 UOQ 0.822695 0.977778
24 MLC 0.822222 0.955556
25 0ET 0.821429 0.977778
26 ACO 0.818182 0.988764
27 8Z2 0.818182 0.988889
28 HGG 0.817518 0.955556
29 CAA 0.816176 0.966292
30 3KK 0.80597 0.977528
31 CAO 0.80303 0.923913
32 COS 0.80303 0.934066
33 OXK 0.8 0.955556
34 FAQ 0.798561 0.955556
35 CO6 0.794118 0.977528
36 0T1 0.793893 0.955056
37 2MC 0.788321 0.935484
38 TGC 0.787234 0.945055
39 FYN 0.779412 0.955056
40 DCA 0.778626 0.955056
41 MCA 0.776978 0.966667
42 COO 0.776978 0.955556
43 COK 0.773723 0.934066
44 SOP 0.773723 0.955556
45 MC4 0.771429 0.925532
46 COA PLM 0.770833 0.966667
47 PLM COA 0.770833 0.966667
48 CMC 0.768116 0.934066
49 COA 0.766917 0.955056
50 BYC 0.765957 0.955556
51 IRC 0.765957 0.966292
52 COW 0.765957 0.945055
53 1GZ 0.765957 0.945055
54 AMX 0.762963 0.94382
55 30N 0.762963 0.876289
56 CAJ 0.76259 0.955556
57 BCA 0.760563 0.945055
58 CMX 0.757353 0.933333
59 A1S 0.757143 0.955556
60 2NE 0.756944 0.934783
61 3CP 0.753521 0.934066
62 COF 0.753521 0.913979
63 ETB 0.75188 0.922222
64 2CP 0.746479 0.945055
65 HAX 0.746377 0.913043
66 1CZ 0.744828 0.945055
67 SCO 0.744526 0.933333
68 NMX 0.742857 0.865979
69 2KQ 0.741259 0.977778
70 FAM 0.73913 0.913043
71 FCX 0.73913 0.903226
72 SCD 0.737589 0.933333
73 4CA 0.736111 0.923913
74 MCD 0.735714 0.955556
75 CA6 0.735714 0.887755
76 WCA 0.72973 0.934783
77 4KX 0.724832 0.924731
78 CCQ 0.721088 0.935484
79 CIC 0.721088 0.934066
80 0FQ 0.716216 0.934066
81 4CO 0.716216 0.923913
82 DAK 0.715232 0.924731
83 UCA 0.7125 0.977778
84 01A 0.711409 0.894737
85 HFQ 0.708609 0.913979
86 1CV 0.706667 0.955556
87 CA8 0.705479 0.868687
88 YE1 0.703448 0.923077
89 1HA 0.703226 0.934783
90 NHQ 0.701299 0.944444
91 S0N 0.697987 0.913043
92 F8G 0.694268 0.93617
93 01K 0.687898 0.955556
94 7L1 0.683099 0.988764
95 CA3 0.675 0.934066
96 COT 0.672956 0.934066
97 CA5 0.664634 0.894737
98 CO7 0.657718 0.955556
99 93P 0.650602 0.923913
100 93M 0.641176 0.923913
101 COD 0.624114 0.94382
102 5TW 0.605556 0.93617
103 4BN 0.605556 0.93617
104 HMG 0.601266 0.923077
105 JBT 0.597826 0.916667
106 OXT 0.585635 0.93617
107 BSJ 0.548913 0.904255
108 ASP ASP ASP ILE CMC NH2 0.531073 0.913043
109 191 0.524691 0.887755
110 PAP 0.515385 0.775281
111 SFC 0.49711 0.956044
112 RFC 0.49711 0.956044
113 ACE SER ASP ALY THR NH2 COA 0.481865 0.913043
114 PPS 0.481481 0.721649
115 A3P 0.469231 0.764045
116 1ZZ 0.468531 0.866667
117 0WD 0.467949 0.755319
118 OMR 0.45098 0.877778
119 S2N 0.443662 0.688889
120 PTJ 0.428571 0.833333
121 PUA 0.426829 0.784946
122 MYR AMP 0.425676 0.846154
123 3AM 0.423077 0.752809
124 MDE 0.419689 0.978022
125 A22 0.416667 0.777778
126 NA7 0.414966 0.820225
127 5SV 0.413793 0.853933
128 YLB 0.411392 0.888889
129 PAJ 0.410959 0.844444
130 ATR 0.407143 0.764045
131 WAQ 0.402685 0.822222
132 YLP 0.401274 0.888889
133 A2D 0.4 0.766667
134 A2R 0.4 0.777778
135 3OD 0.4 0.788889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MU6; Ligand: MYA; Similar sites found with APoc: 263
This union binding pocket(no: 1) in the query (biounit: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1ND4 KAN 0.757576
3 5C3R HMU 1.16618
4 5C3R AKG 1.16618
5 1BO4 COA 1.19048
6 5IUY BOG 1.53453
7 1OFL NGK GCD 1.53453
8 4IGQ THR M3L GLN 1.66667
9 1GHE ACO 1.69492
10 4WZ6 ATP 1.72414
11 5TVJ COA 1.79028
12 4MRP GSH 1.79028
13 4RF7 ARG 1.79028
14 5TVJ 7LF 1.79028
15 3T4L ZEA 1.85185
16 4EE7 PIS 1.97368
17 3DC4 ADP 2.03488
18 5IM3 DTP 2.04604
19 5FPN KYD 2.04604
20 5FPE 3TR 2.06718
21 2AWN ADP 2.09974
22 3B6R ADP 2.09974
23 3BIY 01K 2.10526
24 2PZE ATP 2.18341
25 1SDW IYT 2.2293
26 1U0J ADP 2.24719
27 4BG4 ADP 2.24719
28 5LDQ NAP 2.25989
29 4NOS ITU 2.30179
30 1J78 OLA 2.30179
31 1ELI PYC 2.31362
32 3B9Z CO2 2.31959
33 4BTV RB3 2.32558
34 4O9S 2RY 2.32558
35 2CIX CEJ 2.34114
36 4WCX MET 2.55754
37 5H9Y BGC BGC BGC BGC BGC 2.55754
38 1FUR MLT 2.55754
39 2VL1 GLY GLY 2.55754
40 5GVR LMR 2.5641
41 3SHZ 5CO 2.59366
42 5H2U 1N1 2.62172
43 6BMS PLM 2.6393
44 1G6H ADP 2.72374
45 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
46 3E70 GDP 2.7439
47 2VZZ SCA 2.75229
48 3SXN COA 2.8133
49 4WOE ADP 2.8133
50 1I1E DM2 2.8133
51 5L9G MO0 2.849
52 1IA9 ANP 2.85714
53 1KUV CA5 2.89855
54 3NNF AKG 2.90698
55 5FP4 YC8 2.99401
56 4AVB ACO 3.003
57 5F1V 3VN 3.0303
58 1B0U ATP 3.05344
59 1Y7P RIP 3.13901
60 4MPO AMP 3.26797
61 2Y65 ADP 3.28767
62 5HGZ ACO 3.29218
63 1TV5 N8E 3.32481
64 4DOO DAO 3.41463
65 1BOB ACO 3.4375
66 3ORQ ADP 3.44828
67 1JJ7 ADP 3.46154
68 4R3L COA 3.46821
69 4PSW COA 3.47003
70 5H4S RAM 3.52113
71 4YBN FAD 3.58056
72 4ZS4 ATP 3.58306
73 5TA6 79D 3.63128
74 1PUA COA 3.68098
75 4XPL ACO 3.68098
76 2GWH PCI 3.69128
77 1BG2 ADP 3.69231
78 1QSN COA 3.7037
79 1QSR ACO 3.7037
80 1Q2D COA 3.7037
81 1Q2C COA 3.7037
82 2YKL NLD 3.7037
83 4PPF FLC 3.71429
84 6BA2 7KM 3.72881
85 1OPB RET 3.73134
86 4KFU ACP 3.77358
87 4R2I ANP 3.80952
88 4U9W COA 3.86473
89 4NTO 1PW 3.86473
90 2OG2 MLI 3.89972
91 4KBA 1QM 3.92749
92 5KF9 ACO 3.96341
93 5KF9 COA 3.96341
94 5KF9 NAG 3.96341
95 5HH0 COA 4
96 3PDT ADP 4
97 3D2M COA 4.09207
98 5TSH ADP 4.09207
99 2ZFN ACO 4.09207
100 2VPQ ANP 4.09207
101 5K04 COA 4.11765
102 5DYO FLU 4.12844
103 3TE4 ACO 4.18605
104 4NSQ COA 4.21053
105 5LX9 OLB 4.23453
106 4AG9 COA 4.24242
107 4AG9 16G 4.24242
108 5TZO 7V7 4.25532
109 4IEN GDP 4.29448
110 3TAY MN0 4.29448
111 4MTI 2DX 4.34783
112 1MID LAP 4.3956
113 1DZK PRZ 4.4586
114 4KVX ACO 4.48718
115 3AQT RCO 4.4898
116 5XXS COA 4.54545
117 4R57 ACO 4.54545
118 5YGE ACO 4.5977
119 5YGE GLU 4.5977
120 3BJC WAN 4.60358
121 6FA4 D1W 4.62428
122 1CM0 COA 4.7619
123 2JDC CAO 4.79452
124 5URY PAM 4.79452
125 1CJW COT 4.81928
126 5OLK DTP 4.85933
127 5OM2 DXT 4.87805
128 4KOT CE3 4.93827
129 3CZ7 ACO 4.94506
130 2KIN ADP 5
131 1JI0 ATP 5
132 2FLI DX5 5
133 4CC6 L5Y 5.03145
134 3WG3 A2G GAL NAG FUC 5.05618
135 3TO7 COA 5.07246
136 4LOO SB4 5.26316
137 2ZW5 COA 5.31561
138 3R96 ACO 5.31915
139 3R96 AMP 5.31915
140 4RT1 C2E 5.35714
141 2Z3U CRR 5.37084
142 3FAL REA 5.3719
143 1FK5 OLA 5.37634
144 4INI AMP 5.38462
145 2ZR9 DTP 5.44413
146 5C1M OLC 5.6
147 2CNT COA 5.625
148 1YQT ADP 5.6266
149 2NZ2 ASP 5.6266
150 2IL4 COA 5.82524
151 4DCT GDP 5.88235
152 2XG5 EC2 5.9633
153 2XG5 EC5 5.9633
154 5FUI APY 6.06061
155 2GOO NDG 6.10687
156 5MRH Q9Z 6.13811
157 3O01 DXC 6.16883
158 5UC9 MYR 6.19469
159 3F8K COA 6.25
160 5H20 GLC 6.30631
161 1L6O SER LEU LYS LEU MET THR THR VAL 6.31579
162 2CBZ ATP 6.32911
163 2D2F ADP 6.4
164 2HJ3 FAD 6.4
165 1V0C ACO 6.43564
166 1V0C KNC 6.43564
167 4H6U ACO 6.5
168 4XMF HSM 6.52174
169 4U00 ADP 6.55738
170 1YRE COA 6.59898
171 1BHX ASP PHE GLU GLU ILE 6.66667
172 5XLY C2E 6.76692
173 2WPW ACO 6.78466
174 5VRH OLB 6.90537
175 5XJ7 87O 6.96517
176 5F6U 5VK 7.00637
177 5OCA 9QZ 7.14286
178 5H86 BCO 7.14286
179 3LN9 FLC 7.19424
180 6EDV COA 7.2165
181 3KP6 SAL 7.28477
182 5CHR 4NC 7.29927
183 3A76 SPD 7.38636
184 2Z9I GLY ALA THR VAL 7.40741
185 4B5P ACO 7.5
186 2YG2 S1P 7.55814
187 2YG2 FLC 7.55814
188 5JPH COA 7.63889
189 3WR7 COA 7.64706
190 3L1N PLM 7.73196
191 1TIQ COA 7.77778
192 5FVJ ACO 7.83133
193 5WHT SIA 7.97101
194 6B21 C9V 8.18414
195 4OFJ HIS 8.18414
196 2VQD AP2 8.18966
197 2GJ3 FAD 8.33333
198 2G30 ALA ALA PHE 8.52713
199 3RC3 ANP 8.69565
200 3ZJ0 ACO 8.73786
201 1GQG DCD 8.95141
202 6E2B PT7 9.21053
203 5X80 SAL 9.375
204 1R6N 434 9.47867
205 3KC1 2T6 9.49555
206 2WPX ACO 9.73451
207 1XK5 TPG 9.80392
208 5W7B MYR 9.92908
209 3P2H NOO 9.95025
210 1U6R ADP 10
211 5M6N 7H9 10.1695
212 4RI1 ACO 10.2151
213 2ZPA ACO 10.2302
214 1I1D COA 10.559
215 1I1D 16G 10.559
216 1RV1 IMZ 10.5882
217 2X7I CIT 11.039
218 1RL4 BL5 11.1702
219 4YEF 4CQ 11.236
220 5LS7 ACO 11.6788
221 4CRZ ACO 11.6788
222 5LLT DND 11.7371
223 1GT4 UNA 11.9497
224 2VBQ BSJ 12.1212
225 4WGF HX2 12.1951
226 2Q4V ACO 12.3529
227 5FLJ QUE 12.3656
228 3SAO DBH 12.5
229 5AZC PGT 12.6667
230 1M4I KAN 12.7072
231 1M4I COA 12.7072
232 1M4I PAP 12.7072
233 3IWD M2T 12.9032
234 6ASZ GLN THR ALA ARG M3L SER 13.0435
235 2B4D COA 13.4503
236 2B4B COA 13.4503
237 4NS0 PIO 13.5338
238 1LNX URI 13.5802
239 1GXU 2HP 14.2857
240 2JEV NHQ 14.3678
241 3CF6 SP1 14.3713
242 4B0T ADP 14.8338
243 1N71 COA 15
244 4K30 NLG 15
245 1NU4 MLA 15.4639
246 2BCG GER 15.601
247 5GK9 ACO 16
248 3MYZ TFX 16
249 4QC6 30N 16.2011
250 5W8E ADE 17.1946
251 5W8E SXZ 17.1946
252 6G96 ACO 18.75
253 1WWZ ACO 18.8679
254 3K9U ACO 18.8679
255 4OGQ 7PH 18.9189
256 4UA3 COA 19.0722
257 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 22.0513
258 3H0L ADP 22.3404
259 2FT0 ACO 22.5532
260 1QSM ACO 23.6842
261 5W97 CHD 26.087
262 5ZCO CHD 26.087
263 1S7N COA 27.4725
Pocket No.: 2; Query (leader) PDB : 5MU6; Ligand: KFK; Similar sites found with APoc: 263
This union binding pocket(no: 2) in the query (biounit: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1ND4 KAN 0.757576
3 5C3R HMU 1.16618
4 5C3R AKG 1.16618
5 1BO4 COA 1.19048
6 5IUY BOG 1.53453
7 1OFL NGK GCD 1.53453
8 4IGQ THR M3L GLN 1.66667
9 1GHE ACO 1.69492
10 4WZ6 ATP 1.72414
11 5TVJ COA 1.79028
12 4MRP GSH 1.79028
13 4RF7 ARG 1.79028
14 5TVJ 7LF 1.79028
15 3T4L ZEA 1.85185
16 4EE7 PIS 1.97368
17 3DC4 ADP 2.03488
18 5IM3 DTP 2.04604
19 5FPN KYD 2.04604
20 5FPE 3TR 2.06718
21 2AWN ADP 2.09974
22 3B6R ADP 2.09974
23 3BIY 01K 2.10526
24 2PZE ATP 2.18341
25 1SDW IYT 2.2293
26 1U0J ADP 2.24719
27 4BG4 ADP 2.24719
28 5LDQ NAP 2.25989
29 4NOS ITU 2.30179
30 1J78 OLA 2.30179
31 1ELI PYC 2.31362
32 3B9Z CO2 2.31959
33 4BTV RB3 2.32558
34 4O9S 2RY 2.32558
35 2CIX CEJ 2.34114
36 4WCX MET 2.55754
37 5H9Y BGC BGC BGC BGC BGC 2.55754
38 1FUR MLT 2.55754
39 2VL1 GLY GLY 2.55754
40 5GVR LMR 2.5641
41 3SHZ 5CO 2.59366
42 5H2U 1N1 2.62172
43 6BMS PLM 2.6393
44 1G6H ADP 2.72374
45 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
46 3E70 GDP 2.7439
47 2VZZ SCA 2.75229
48 3SXN COA 2.8133
49 4WOE ADP 2.8133
50 1I1E DM2 2.8133
51 5L9G MO0 2.849
52 1IA9 ANP 2.85714
53 1KUV CA5 2.89855
54 3NNF AKG 2.90698
55 5FP4 YC8 2.99401
56 4AVB ACO 3.003
57 5F1V 3VN 3.0303
58 1B0U ATP 3.05344
59 1Y7P RIP 3.13901
60 4MPO AMP 3.26797
61 2Y65 ADP 3.28767
62 5HGZ ACO 3.29218
63 1TV5 N8E 3.32481
64 4DOO DAO 3.41463
65 1BOB ACO 3.4375
66 3ORQ ADP 3.44828
67 1JJ7 ADP 3.46154
68 4R3L COA 3.46821
69 4PSW COA 3.47003
70 5H4S RAM 3.52113
71 4YBN FAD 3.58056
72 4ZS4 ATP 3.58306
73 5TA6 79D 3.63128
74 1PUA COA 3.68098
75 4XPL ACO 3.68098
76 2GWH PCI 3.69128
77 1BG2 ADP 3.69231
78 1QSN COA 3.7037
79 1QSR ACO 3.7037
80 1Q2D COA 3.7037
81 1Q2C COA 3.7037
82 2YKL NLD 3.7037
83 4PPF FLC 3.71429
84 6BA2 7KM 3.72881
85 1OPB RET 3.73134
86 4KFU ACP 3.77358
87 4R2I ANP 3.80952
88 4U9W COA 3.86473
89 4NTO 1PW 3.86473
90 2OG2 MLI 3.89972
91 4KBA 1QM 3.92749
92 5KF9 ACO 3.96341
93 5KF9 COA 3.96341
94 5KF9 NAG 3.96341
95 5HH0 COA 4
96 3PDT ADP 4
97 3D2M COA 4.09207
98 5TSH ADP 4.09207
99 2ZFN ACO 4.09207
100 2VPQ ANP 4.09207
101 5K04 COA 4.11765
102 5DYO FLU 4.12844
103 3TE4 ACO 4.18605
104 4NSQ COA 4.21053
105 5LX9 OLB 4.23453
106 4AG9 COA 4.24242
107 4AG9 16G 4.24242
108 5TZO 7V7 4.25532
109 4IEN GDP 4.29448
110 3TAY MN0 4.29448
111 4MTI 2DX 4.34783
112 1MID LAP 4.3956
113 1DZK PRZ 4.4586
114 4KVX ACO 4.48718
115 3AQT RCO 4.4898
116 5XXS COA 4.54545
117 4R57 ACO 4.54545
118 5YGE ACO 4.5977
119 5YGE GLU 4.5977
120 3BJC WAN 4.60358
121 6FA4 D1W 4.62428
122 1CM0 COA 4.7619
123 2JDC CAO 4.79452
124 5URY PAM 4.79452
125 1CJW COT 4.81928
126 5OLK DTP 4.85933
127 5OM2 DXT 4.87805
128 4KOT CE3 4.93827
129 3CZ7 ACO 4.94506
130 2KIN ADP 5
131 1JI0 ATP 5
132 2FLI DX5 5
133 4CC6 L5Y 5.03145
134 3WG3 A2G GAL NAG FUC 5.05618
135 3TO7 COA 5.07246
136 4LOO SB4 5.26316
137 2ZW5 COA 5.31561
138 3R96 ACO 5.31915
139 3R96 AMP 5.31915
140 4RT1 C2E 5.35714
141 2Z3U CRR 5.37084
142 3FAL REA 5.3719
143 1FK5 OLA 5.37634
144 4INI AMP 5.38462
145 2ZR9 DTP 5.44413
146 5C1M OLC 5.6
147 2CNT COA 5.625
148 1YQT ADP 5.6266
149 2NZ2 ASP 5.6266
150 2IL4 COA 5.82524
151 4DCT GDP 5.88235
152 2XG5 EC2 5.9633
153 2XG5 EC5 5.9633
154 5FUI APY 6.06061
155 2GOO NDG 6.10687
156 5MRH Q9Z 6.13811
157 3O01 DXC 6.16883
158 5UC9 MYR 6.19469
159 3F8K COA 6.25
160 5H20 GLC 6.30631
161 1L6O SER LEU LYS LEU MET THR THR VAL 6.31579
162 2CBZ ATP 6.32911
163 2D2F ADP 6.4
164 2HJ3 FAD 6.4
165 1V0C ACO 6.43564
166 1V0C KNC 6.43564
167 4H6U ACO 6.5
168 4XMF HSM 6.52174
169 4U00 ADP 6.55738
170 1YRE COA 6.59898
171 1BHX ASP PHE GLU GLU ILE 6.66667
172 5XLY C2E 6.76692
173 2WPW ACO 6.78466
174 5VRH OLB 6.90537
175 5XJ7 87O 6.96517
176 5F6U 5VK 7.00637
177 5OCA 9QZ 7.14286
178 5H86 BCO 7.14286
179 3LN9 FLC 7.19424
180 6EDV COA 7.2165
181 3KP6 SAL 7.28477
182 5CHR 4NC 7.29927
183 3A76 SPD 7.38636
184 2Z9I GLY ALA THR VAL 7.40741
185 4B5P ACO 7.5
186 2YG2 S1P 7.55814
187 2YG2 FLC 7.55814
188 5JPH COA 7.63889
189 3WR7 COA 7.64706
190 3L1N PLM 7.73196
191 1TIQ COA 7.77778
192 5FVJ ACO 7.83133
193 5WHT SIA 7.97101
194 6B21 C9V 8.18414
195 4OFJ HIS 8.18414
196 2VQD AP2 8.18966
197 2GJ3 FAD 8.33333
198 2G30 ALA ALA PHE 8.52713
199 3RC3 ANP 8.69565
200 3ZJ0 ACO 8.73786
201 1GQG DCD 8.95141
202 6E2B PT7 9.21053
203 5X80 SAL 9.375
204 1R6N 434 9.47867
205 3KC1 2T6 9.49555
206 2WPX ACO 9.73451
207 1XK5 TPG 9.80392
208 5W7B MYR 9.92908
209 3P2H NOO 9.95025
210 1U6R ADP 10
211 5M6N 7H9 10.1695
212 4RI1 ACO 10.2151
213 2ZPA ACO 10.2302
214 1I1D COA 10.559
215 1I1D 16G 10.559
216 1RV1 IMZ 10.5882
217 2X7I CIT 11.039
218 1RL4 BL5 11.1702
219 4YEF 4CQ 11.236
220 5LS7 ACO 11.6788
221 4CRZ ACO 11.6788
222 5LLT DND 11.7371
223 1GT4 UNA 11.9497
224 2VBQ BSJ 12.1212
225 4WGF HX2 12.1951
226 2Q4V ACO 12.3529
227 5FLJ QUE 12.3656
228 3SAO DBH 12.5
229 5AZC PGT 12.6667
230 1M4I KAN 12.7072
231 1M4I COA 12.7072
232 1M4I PAP 12.7072
233 3IWD M2T 12.9032
234 6ASZ GLN THR ALA ARG M3L SER 13.0435
235 2B4D COA 13.4503
236 2B4B COA 13.4503
237 4NS0 PIO 13.5338
238 1LNX URI 13.5802
239 1GXU 2HP 14.2857
240 2JEV NHQ 14.3678
241 3CF6 SP1 14.3713
242 4B0T ADP 14.8338
243 1N71 COA 15
244 4K30 NLG 15
245 1NU4 MLA 15.4639
246 2BCG GER 15.601
247 5GK9 ACO 16
248 3MYZ TFX 16
249 4QC6 30N 16.2011
250 5W8E ADE 17.1946
251 5W8E SXZ 17.1946
252 6G96 ACO 18.75
253 1WWZ ACO 18.8679
254 3K9U ACO 18.8679
255 4OGQ 7PH 18.9189
256 4UA3 COA 19.0722
257 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 22.0513
258 3H0L ADP 22.3404
259 2FT0 ACO 22.5532
260 1QSM ACO 23.6842
261 5W97 CHD 26.087
262 5ZCO CHD 26.087
263 1S7N COA 27.4725
Pocket No.: 3; Query (leader) PDB : 5MU6; Ligand: KFK; Similar sites found with APoc: 47
This union binding pocket(no: 3) in the query (biounit: 5mu6.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 3KO0 TFP None
2 1YRX FMN None
3 4MAF ADX 1.27877
4 3EC1 GDP 1.35501
5 1N4K I3P 2.3622
6 6EXS C3H 2.8133
7 6FBA D48 2.86533
8 3ROE THM 3.39623
9 2VDF OCT 3.55731
10 5YV5 ADP 3.58056
11 5YJS SAL 3.58974
12 5J75 6GQ 3.78788
13 3NZ1 3NY 3.83142
14 6CB2 OLC 4.09556
15 5OCG 9R5 4.2328
16 5TVI MYR 4.34783
17 5V1B 8UY 4.58333
18 3B9Q MLI 4.63576
19 5KTC FUH 4.78723
20 5KTC COA 4.78723
21 3ITJ CIT 5.02959
22 2V5E SCR 5.94059
23 5KJW 53C 6.13811
24 1DTL BEP 6.21118
25 3B6C SDN 6.41026
26 3NX2 FER 6.54762
27 6GNO XDI 6.66667
28 3UW5 MAA CHG PRO 0DQ 6.89655
29 4M6T SAM 7.10383
30 4JMU 1ML 7.14286
31 4UBS DIF 7.16113
32 6BR9 6OU 7.24234
33 1MFD GLA MMA ABE 7.44186
34 4HBM 0Y7 7.5
35 5OF1 SAL 7.61905
36 5E5U 1PS 7.95455
37 5E5U MLT 7.95455
38 4RHY 3QG 7.9602
39 4F8L AES 8.27586
40 1JGU HBC 12.2727
41 1XVB 3BR 14.3959
42 4TV1 36M 15.1394
43 5OVV ACE ILE GLU SER THR GLU ILE 15.4472
44 5C9J DAO 16.1616
45 1M2Z BOG 19.0476
46 3UW4 MAA CHG PRO 0DQ 23.913
47 5ZCO PSC 26.087
Pocket No.: 4; Query (leader) PDB : 5MU6; Ligand: MYA; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 5mu6.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 3KO0 TFP None
2 1YRX FMN None
3 4MAF ADX 1.27877
4 3EC1 GDP 1.35501
5 1N4K I3P 2.3622
6 6EXS C3H 2.8133
7 6FBA D48 2.86533
8 3ROE THM 3.39623
9 2VDF OCT 3.55731
10 5YV5 ADP 3.58056
11 5YJS SAL 3.58974
12 5J75 6GQ 3.78788
13 3NZ1 3NY 3.83142
14 6CB2 OLC 4.09556
15 5OCG 9R5 4.2328
16 5TVI MYR 4.34783
17 5V1B 8UY 4.58333
18 3B9Q MLI 4.63576
19 5KTC FUH 4.78723
20 5KTC COA 4.78723
21 3ITJ CIT 5.02959
22 2V5E SCR 5.94059
23 5KJW 53C 6.13811
24 1DTL BEP 6.21118
25 3B6C SDN 6.41026
26 3NX2 FER 6.54762
27 6GNO XDI 6.66667
28 3UW5 MAA CHG PRO 0DQ 6.89655
29 4M6T SAM 7.10383
30 4JMU 1ML 7.14286
31 4UBS DIF 7.16113
32 6BR9 6OU 7.24234
33 1MFD GLA MMA ABE 7.44186
34 4HBM 0Y7 7.5
35 5OF1 SAL 7.61905
36 5E5U 1PS 7.95455
37 5E5U MLT 7.95455
38 4RHY 3QG 7.9602
39 4F8L AES 8.27586
40 1JGU HBC 12.2727
41 1XVB 3BR 14.3959
42 4TV1 36M 15.1394
43 5OVV ACE ILE GLU SER THR GLU ILE 15.4472
44 5C9J DAO 16.1616
45 1M2Z BOG 19.0476
46 3UW4 MAA CHG PRO 0DQ 23.913
47 5ZCO PSC 26.087
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