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Receptor
PDB id Resolution Class Description Source Keywords
1IYK 2.3 Å EC: 2.3.1.97 CRYSTAL STRUCTURE OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE MYRISTOYL-COA AND PEPTIDIC INHIBITOR CANDIDA ALBICANS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE WITH TWO DISTINCT INHIBITORS CHEM.BIOL. V. 9 1119 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MIM A:502;
B:1502;
Valid;
Valid;
none;
none;
Ki = 0.25 uM
596.804 C33 H52 N6 O4 Cc1nc...
MYA A:501;
B:1501;
Valid;
Valid;
none;
none;
submit data
977.89 C35 H62 N7 O17 P3 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IYK 2.3 Å EC: 2.3.1.97 CRYSTAL STRUCTURE OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE MYRISTOYL-COA AND PEPTIDIC INHIBITOR CANDIDA ALBICANS TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF CANDIDA ALBICANS N-MYRISTOYLTRANSFERASE WITH TWO DISTINCT INHIBITORS CHEM.BIOL. V. 9 1119 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
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: MIM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MIM 1 1
2 EN5 0.537037 0.671875
3 JJ1 0.522523 0.671875
4 ENF 0.512605 0.69697
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 : 1IYK; Ligand: MIM; Similar sites found with APoc: 59
This union binding pocket(no: 1) in the query (biounit: 1iyk.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1IZC PYR 1.17994
2 3UDG TMP 1.66113
3 5L6G XYP 1.78571
4 4TQK NAG 1.78571
5 5C9P FUC 1.83727
6 4CSD MFU 1.83824
7 3O03 GCO 2.4055
8 4CJN QNZ 2.55102
9 5CQG 55C 2.80612
10 1U6R ADP 2.89474
11 4AML GYU 2.92398
12 1QXA GLY GLY GLY 2.97872
13 4RF7 ARG 3.06122
14 2VGK REZ 3.06122
15 4D4U FUC GAL NAG 3.1746
16 4D52 GXL 3.1746
17 1Q19 SSC 3.31633
18 2G30 ALA ALA PHE 3.48837
19 5EO8 TFU 3.53698
20 1ZX5 LFR 3.66667
21 6CI9 F3V 3.861
22 5X3R 7Y3 3.90244
23 1UPR 4IP 4.06504
24 2Z5Y HRM 4.08163
25 4WOE ADP 4.08163
26 1SQL GUN 4.10959
27 4PX9 ADP 4.10959
28 4OCX MT1 4.16667
29 3F4F UMP 4.19162
30 2BVE PH5 4.20168
31 6F7X MFU 4.44444
32 5KXE 6Y2 4.52675
33 4ZQX ATP 4.64135
34 3KIF GDL 4.71698
35 3QDW A2G 4.8951
36 4U36 TNR 5.41667
37 3KDM TES 5.50459
38 3BP1 GUN 5.51724
39 4BTV RB3 5.52326
40 2BS5 BGC GAL FUC 5.55556
41 6EOM ALA LYS 6.37755
42 4INI AMP 6.37755
43 6B9T 2HE 6.63265
44 2WD7 VGD 7.08955
45 1AV5 AP2 7.14286
46 3HCH RSM 7.53425
47 3N1S 5GP 7.56302
48 4NFE BEN 8.01688
49 3ZW2 NAG GAL FUC 9.1954
50 3ZW0 FUC 9.1954
51 3ZW2 GLA NAG GAL FUC 9.1954
52 1OFZ FUC 9.61539
53 1OFZ FUL 9.61539
54 3EXS 5RP 9.95475
55 2Z3U CRR 10.2041
56 3ZO7 K6H 15.9574
57 3LN9 FLC 16.5468
58 4YEF 4CQ 16.8539
59 4XBA GMP 17
Pocket No.: 2; Query (leader) PDB : 1IYK; Ligand: MYA; Similar sites found with APoc: 269
This union binding pocket(no: 2) in the query (biounit: 1iyk.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 6BKL RIM None
3 1UO4 PIH None
4 1FK5 OLA None
5 4WG0 CHD None
6 4F4S EFO None
7 6BKL EU7 None
8 1LNX URI None
9 4UBS DIF 1.27551
10 1ELI PYC 1.54242
11 2X1L MET 1.78571
12 5O2N FLC 1.78571
13 2OG2 MLI 1.94986
14 3R6K FUC GAL GLA 1.96721
15 1XMY ROL 2.04082
16 3C8F MT2 2.04082
17 2Q8G AZX 2.04082
18 3G58 988 2.09974
19 4NSQ COA 2.10526
20 4QC6 30N 2.23464
21 1B0U ATP 2.29008
22 5IUY BOG 2.29592
23 5WGQ EST 2.29885
24 3B9Q MLI 2.31788
25 2ZW5 COA 2.32558
26 2B4D COA 2.33918
27 2B4B COA 2.33918
28 4TUZ 36J 2.35294
29 3ITJ CIT 2.36686
30 5H86 BCO 2.38095
31 4TV1 36M 2.39044
32 5C1M OLC 2.4
33 4U00 ADP 2.45902
34 4G86 BNT 2.46479
35 3SXN COA 2.55102
36 3KP6 SAL 2.64901
37 5AZC PGT 2.66667
38 1U25 IHS 2.67062
39 5F1V 3VN 2.6936
40 1M2Z BOG 2.72374
41 3E70 GDP 2.7439
42 1N71 COA 2.77778
43 5OLK DTP 2.80612
44 1J78 OLA 2.80612
45 2E9L PLM 2.80612
46 1ZPD CIT 2.80612
47 1J78 VDY 2.80612
48 1R6N 434 2.8436
49 5YGE ACO 2.87356
50 5YGE GLU 2.87356
51 4WGF HX2 2.92683
52 4DOO DAO 2.92683
53 4H6U ACO 3
54 4AG9 COA 3.0303
55 4AG9 16G 3.0303
56 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.04348
57 2ZFN ACO 3.06122
58 3HQP OXL 3.06122
59 3SQP 3J8 3.06122
60 5UC9 MYR 3.09735
61 4WZ6 ATP 3.10345
62 4PPF FLC 3.14286
63 5V3Y 5V8 3.14685
64 2YLD CMO 3.14961
65 5H4S RAM 3.16901
66 1RTW MP5 3.18182
67 6CIB ADP 3.18302
68 3EC1 GDP 3.25203
69 1QSM ACO 3.28947
70 2ZPA ACO 3.31633
71 3D2M COA 3.31633
72 5GWE GWM 3.31633
73 1TV5 N8E 3.31633
74 1JI0 ATP 3.33333
75 1GHE ACO 3.38983
76 5M6N 7H9 3.38983
77 2JEV NHQ 3.44828
78 1XZ3 ICF 3.44828
79 3SHZ 5CO 3.45821
80 4MTI 2DX 3.47826
81 3W6X HZP 3.49345
82 5IM3 DTP 3.57143
83 1BO4 COA 3.57143
84 5CX6 CDP 3.57143
85 3RC3 ANP 3.57143
86 2X7I CIT 3.57143
87 5FVJ ACO 3.61446
88 2AWN ADP 3.67454
89 3LKF PC 3.67893
90 1QSR ACO 3.7037
91 1Q2C COA 3.7037
92 1QSN COA 3.7037
93 1Q2D COA 3.7037
94 5X80 SAL 3.75
95 2PZE ATP 3.93013
96 5XJ7 87O 3.9801
97 1BOB ACO 4.0625
98 5LX9 OLB 4.08163
99 2RH1 CLR 4.08163
100 1YQT ADP 4.08163
101 2VZZ SCA 4.12844
102 5NM7 GLY 4.13534
103 1JGU HBC 4.14747
104 5W7B MYR 4.25532
105 2FT0 ACO 4.25532
106 1G6H ADP 4.28016
107 3UW5 MAA CHG PRO 0DQ 4.31034
108 4MRP GSH 4.33673
109 3TO7 COA 4.34783
110 2ALG DAO 4.34783
111 2CNT COA 4.375
112 3B9Z CO2 4.38144
113 1GXU 2HP 4.3956
114 3W5J GDP 4.41176
115 3CM2 X23 4.61538
116 2GWH PCI 4.69799
117 3KIF GDL 4.71698
118 6CB2 OLC 4.77816
119 3GF2 SAL 4.79452
120 4U9W COA 4.83092
121 4NTO 1PW 4.83092
122 1W3R PYR 4.84694
123 3TK1 GDP 4.84848
124 2QCX PF1 4.94297
125 1S7N COA 4.94506
126 1XQP 8HG 5.07812
127 6G96 ACO 5.11364
128 6FBA D48 5.15759
129 3N7S 3N7 5.20833
130 3ROE THM 5.28302
131 5LUB 3Y7 5.34351
132 1P0H COA 5.34591
133 1P0H ACO 5.34591
134 6BA2 7KM 5.42373
135 5W8E ADE 5.42986
136 5W8E SXZ 5.42986
137 3P2H NOO 5.47264
138 5URY PAM 5.47945
139 5TVJ COA 5.61225
140 5TVJ 7LF 5.61225
141 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.61225
142 3L1N PLM 5.6701
143 5OVV ACE ILE GLU SER THR GLU ILE 5.69106
144 4KVX ACO 5.76923
145 5CHR 4NC 5.83942
146 5VRH OLB 5.86735
147 3BJC WAN 5.86735
148 3KO0 TFP 5.94059
149 5TSH ADP 6.12245
150 4R57 ACO 6.25
151 6CS8 F9Y 6.27063
152 3WYJ H78 6.32411
153 2PYW SR1 6.37755
154 1RL4 BL5 6.38298
155 3B6C SDN 6.41026
156 1JJ7 ADP 6.53846
157 5Y02 HBX 6.54206
158 4NTX AMR 6.66667
159 6BMS PLM 6.74487
160 3ZJ0 ACO 6.79612
161 4UCC ZKW 6.86695
162 5GK9 ACO 6.88406
163 5V4R MGT 6.88775
164 4AVB ACO 6.90691
165 5KBE IPH 6.9869
166 6B21 C9V 7.14286
167 3FAL REA 7.14286
168 2QPU QPU 7.14286
169 5GVR LMR 7.26496
170 2VBQ BSJ 7.27273
171 1PUA COA 7.36196
172 5CXI 5TW 7.38916
173 5OSW DIU 7.39796
174 3TE4 ACO 7.44186
175 1G7C 5GP 7.44681
176 2JDC CAO 7.53425
177 5HGZ ACO 7.81893
178 4PSW COA 7.89474
179 4B5P ACO 8
180 5HH0 COA 8
181 1DTL BEP 8.07453
182 4R3L COA 8.09249
183 3DC4 ADP 8.13953
184 4KJU 1RH 8.13953
185 3MB3 MB3 8.14815
186 6EDV COA 8.24742
187 1M4I PAP 8.28729
188 1M4I KAN 8.28729
189 1M4I COA 8.28729
190 5JPH COA 8.33333
191 1T0S BML 8.41837
192 4R2I ANP 8.57143
193 5TVI MYR 8.69565
194 2IL4 COA 8.73786
195 1OD3 BGC BGC 8.92857
196 3R9V DXC 9.09091
197 1YRE COA 9.13706
198 2WPW ACO 9.14454
199 5KF9 ACO 9.14634
200 5KF9 COA 9.14634
201 5KF9 NAG 9.14634
202 5OCA 9QZ 9.2437
203 1XVB 3BR 9.41177
204 1RV1 IMZ 9.41177
205 4DCT GDP 9.43878
206 2WPX ACO 9.43953
207 4CRZ ACO 9.48905
208 3UW4 MAA CHG PRO 0DQ 9.78261
209 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 9.83607
210 4KOT CE3 9.87654
211 2V5E SCR 9.90099
212 5HCN DAO 9.94898
213 2BCG GER 10.1942
214 2VAR AMP 10.2236
215 6BJO DUY 10.4
216 1L6O SER LEU LYS LEU MET THR THR VAL 10.5263
217 5K04 COA 10.5882
218 3W54 RNB 10.6383
219 2QQC AG2 10.7143
220 4RI1 ACO 10.7527
221 3AQT RCO 11.4286
222 6BR9 6OU 11.4796
223 1AUA BOG 11.4865
224 4KFU ACP 11.7925
225 5LS7 ACO 12.1951
226 1I1D COA 12.4224
227 1I1D 16G 12.4224
228 1KUV CA5 12.5604
229 6BVM EBV 12.5749
230 6BVK EAV 12.5749
231 2Q4V ACO 12.9412
232 4O4Z N2O 12.987
233 3F8K COA 13.125
234 5FPN KYD 13.2653
235 5LWY OLB 13.4454
236 2D2F ADP 13.6
237 1CM0 COA 13.6905
238 3K9U ACO 13.8365
239 5XXS COA 14.3939
240 2Y69 CHD 14.433
241 5C2N NAG 14.5833
242 1V0C KNC 14.8515
243 1V0C ACO 14.8515
244 2XHK AKG 14.8649
245 3WR7 COA 15.2941
246 5KTC FUH 15.4255
247 5KTC COA 15.4255
248 1CJW COT 15.6627
249 5MWE TCE 15.7143
250 2CIX CEJ 15.7191
251 3R96 ACO 15.9574
252 3R96 AMP 15.9574
253 3LN9 FLC 16.5468
254 1TIQ COA 16.6667
255 2HJ3 FAD 16.8
256 6BR8 PGV 17.4603
257 5C9J DAO 18.1818
258 1NU4 MLA 18.5567
259 2VWA PTY 18.8119
260 5ZCO CHD 19.5652
261 5W97 CHD 19.5652
262 5Z84 CHD 19.5652
263 4UA3 COA 19.5876
264 4OAS 2SW 21.875
265 3RMK BML 24.0964
266 1WWZ ACO 25.1572
267 2WOR 2AN 28
268 4OGQ 7PH 29.7297
269 4OGQ 1O2 29.7297
Pocket No.: 3; Query (leader) PDB : 1IYK; Ligand: MIM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1iyk.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1IYK; Ligand: MYA; Similar sites found with APoc: 28
This union binding pocket(no: 4) in the query (biounit: 1iyk.bio3) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1OXV ANP 1.69972
2 5O9W AKG 1.90736
3 2DPY ADP 2.04082
4 2HFK E4H 2.19436
5 2WH8 II2 2.29592
6 2QZO KN1 2.32558
7 2QA8 GEN 2.32558
8 4MGA 27L 2.35294
9 3HP9 CF1 2.55102
10 1GNI OLA 3.31633
11 4B5W PYR 3.51562
12 3A3B FMN 3.68421
13 5X3R 7Y3 3.90244
14 3O01 DXC 4.22078
15 1TL2 NDG 4.23729
16 3KIH GDL 6.18557
17 2QPU QPS 7.14286
18 2ED4 NAD 7.38255
19 1UUY PPI 8.38323
20 2YGM GLA NAG GAL FUC 8.47458
21 1ZEI CRS 9.43396
22 1OFZ FUL 9.61539
23 2CBZ ATP 10.5485
24 2OHV NHL 10.6061
25 3OGN 3OG 11.2903
26 6BR9 PGV 11.4796
27 4OR7 25U 16.9697
28 5WL1 CUY 18.1818
Pocket No.: 5; Query (leader) PDB : 1IYK; Ligand: MYA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1iyk.bio3) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1IYK; Ligand: MIM; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 1iyk.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z5I XYP 2.29592
2 2NZ2 ASP 2.80612
3 2UVO NDG 2.92398
4 3QDY A2G GAL 4.8951
5 6DZN AE3 5.16432
6 4FXQ G9L 5.35714
7 1FQK ALF 5.44218
8 3HNB 768 6.28931
9 4UP4 GAL NAG 6.37755
10 3EW2 BTN 6.66667
11 4PTN PYR 7.28863
12 5RHN 8BR 7.82609
13 5YJ0 EF2 8.10811
Pocket No.: 7; Query (leader) PDB : 1IYK; Ligand: MYA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1iyk.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1IYK; Ligand: MIM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1iyk.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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