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Receptor
PDB id Resolution Class Description Source Keywords
4X9X 1.2 Å NON-ENZYME: OTHER BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BACTERIAL FA BINDING PROTEIN FAMILY STAPHYLOCOCCUS AUREUS (STRAIN MW2) FATTY ACID KINASE FAKB DEGV TRANSFERASE
Ref.: BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BAC FATTY ACID-BINDING PROTEIN FAMILY. J.BIOL.CHEM. V. 291 6292 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:301;
Valid;
none;
submit data
282.461 C18 H34 O2 CCCCC...
EDO A:304;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X9X 1.2 Å NON-ENZYME: OTHER BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BACTERIAL FA BINDING PROTEIN FAMILY STAPHYLOCOCCUS AUREUS (STRAIN MW2) FATTY ACID KINASE FAKB DEGV TRANSFERASE
Ref.: BIOCHEMICAL ROLES FOR CONSERVED RESIDUES IN THE BAC FATTY ACID-BINDING PROTEIN FAMILY. J.BIOL.CHEM. V. 291 6292 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
2 1MGP - PLM C16 H32 O2 CCCCCCCCCC....
3 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
4 5WOO - MYR C14 H28 O2 CCCCCCCCCC....
5 6B9I - D0G C17 H34 O2 CC[C@H](C)....
6 6ALW - BNV C15 H30 O2 CC[C@H](C)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLA; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 OLA 1 1
2 NER 1 1
3 ELA 1 1
4 VCA 0.939394 1
5 PAM 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 DCR 0.71875 0.954545
9 F15 0.71875 0.954545
10 EW8 0.71875 0.954545
11 X90 0.71875 0.954545
12 TDA 0.71875 0.954545
13 DKA 0.71875 0.954545
14 STE 0.71875 0.954545
15 MYR 0.71875 0.954545
16 11A 0.71875 0.954545
17 DAO 0.71875 0.954545
18 KNA 0.71875 0.954545
19 PLM 0.71875 0.954545
20 F23 0.71875 0.954545
21 OCA 0.6875 0.954545
22 ODD 0.675 0.956522
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.605263 0.84
27 3X1 0.564103 0.863636
28 ODT 0.555556 0.826087
29 T25 0.54717 0.709677
30 AZ1 0.53125 0.615385
31 10X 0.529412 0.645161
32 10Y 0.529412 0.645161
33 6NA 0.529412 0.863636
34 OLB 0.519231 0.617647
35 OLC 0.519231 0.617647
36 243 0.519231 0.846154
37 MVC 0.490566 0.617647
38 ACD 0.488889 0.956522
39 VA 0.478261 0.692308
40 3LA 0.47619 0.769231
41 78M 0.471698 0.617647
42 78N 0.471698 0.617647
43 EOD 0.468085 0.677419
44 MPG 0.45283 0.617647
45 14V 0.444444 0.714286
46 LEA 0.441176 0.772727
47 T24 0.438596 0.769231
48 BRC 0.435897 0.64
49 14U 0.431818 0.678571
50 M12 0.428571 0.833333
51 UNA 0.421053 0.636364
52 OCD 0.421053 0.636364
53 8YP 0.421053 0.636364
54 D0G 0.4 0.913043
55 BNV 0.4 0.913043
56 BMJ 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X9X; Ligand: OLA; Similar sites found with APoc: 136
This union binding pocket(no: 1) in the query (biounit: 4x9x.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3SAO DBH None
2 4BQS K2Q None
3 3RET PYR None
4 3RET SAL None
5 4UTW RFW 1.33779
6 1SDW IYT 1.67224
7 2Z3U CRR 2.00669
8 4MOB ADP 2.00669
9 5DQ8 FLF 2.08333
10 6GNO XDI 2.22222
11 3GD9 GLC BGC BGC BGC 2.34114
12 5T8U LPA 2.67559
13 1ZDQ MSM 2.67559
14 3JQ3 ADP 2.67559
15 5A0U CHT 2.67559
16 4GNC ASO 2.67559
17 5HW4 SAM 2.82258
18 2QHV OC9 2.85714
19 3EFS BTN 3.00429
20 4KBA 1QM 3.01003
21 4YRI 4JH 3.01003
22 4BTV RB3 3.01003
23 5KJW 53C 3.0445
24 3P7N FMN 3.10078
25 3QPB URA 3.19149
26 1LQY BB2 3.26087
27 3PDT ADP 3.27273
28 1YFS ALA 3.34448
29 2VL1 GLY GLY 3.34448
30 2VDY HCY 3.34448
31 3JU6 ANP 3.34448
32 3B6R ADP 3.67893
33 1OFL NGK GCD 3.67893
34 2ITM XUL 4.01338
35 4BWL MN9 4.01338
36 5EY0 GTP 4.0146
37 3NZ1 3NY 4.21456
38 1F9V ADP 4.32277
39 3QSB 743 4.34783
40 5MJA 7O3 4.34783
41 5VLC HSO 4.34783
42 1GT4 UNA 4.40252
43 5CPR 539 4.47761
44 5A89 FMN 4.48718
45 4YMU ARG 4.54545
46 2YAK OSV 4.5614
47 5HWV MBN 4.61538
48 2GQS C2R 4.64135
49 1RYD GLC 4.68227
50 5G48 1FL 4.68227
51 2VVM PRO 4.68227
52 5M8T 0TR 4.68227
53 4YDU ADP 4.68227
54 1J78 OLA 4.68227
55 3HCH RSM 4.79452
56 3T4L ZEA 4.81482
57 3ZJX BOG 4.84429
58 2AG4 LP3 4.87805
59 2AG4 OLA 4.87805
60 1LNX URI 4.93827
61 1VRP ADP 5.01672
62 5CLO NS8 5.08475
63 4WOE ADP 5.35117
64 1OUK 084 5.35117
65 6EWZ APC 5.48523
66 4MIB 28M 5.68562
67 4RF7 ARG 6.02007
68 4RD0 GDP 6.02007
69 4AZI OAN 6.02007
70 3CBC DBS 6.06061
71 2YPI PGA 6.07287
72 4WUJ FMN 6.12245
73 1MFI FHC 6.14035
74 2Z6C FMN 6.20155
75 5FQK 6NT 6.3197
76 2PA7 TYD 6.38298
77 4R38 RBF 6.42857
78 3H0L ADP 6.68896
79 1LSH PLD 6.68896
80 4P8K 38C 6.68896
81 4P8K FAD 6.68896
82 5H2U 1N1 6.74157
83 2I4O ATP 7.02341
84 5H9Y BGC BGC BGC BGC 7.02341
85 1APZ ASP 7.02341
86 2Y6Q I7T 7.02341
87 1U6R ADP 7.02341
88 4XCP PLM 7.05882
89 2AZC 3TL 7.07071
90 3WUC GLC GAL 7.29927
91 3A16 PXO 7.35786
92 1ZEI CRS 7.54717
93 2PR5 FMN 7.57576
94 5VAD PRO 7.69231
95 3HQ9 OXL 7.69231
96 43CA NPO 7.9646
97 4FFG 0U8 8.02676
98 5XIO HFG 8.02676
99 5F7J ADE 8.02676
100 2GAG FOA 8.09524
101 2QL9 CIT 8.24742
102 2UW1 GVM 8.3612
103 1HXD BTN 8.3612
104 5OCG 9R5 8.46561
105 4D52 GXL 9.0301
106 6FA4 D1W 9.24856
107 2P0D I3P 9.30233
108 2PNC CLU 9.36455
109 6DW2 HD4 9.41177
110 3G5D 1N1 9.44056
111 3GUZ PAF 9.65909
112 6EK3 OUL 10.4072
113 2QHS OCA 10.5485
114 4FE2 AIR 11.3725
115 3TTZ 07N 11.6162
116 3G1Z AMP 11.7057
117 2AGC DAO 11.7284
118 2YKL NLD 12.5
119 1KGI T4A 12.5984
120 5H9P TD2 12.6582
121 1DZK PRZ 12.7389
122 2Z6D FMN 13.0769
123 2JCB ADP 13.5
124 4Y24 TD2 13.6364
125 1XXA ARG 14.1026
126 5LX9 OLB 14.3813
127 1KR3 113 15.0862
128 1I1E DM2 15.7191
129 5VNF VAL THR SER VAL VAL 15.9236
130 4BG4 ADP 17.0569
131 3IWD M2T 17.6471
132 5Y4R C2E 20
133 4ZU4 4TG 20.2703
134 5TVF CGQ 23.5294
135 3QMN A3P 25.5814
136 1PZX PLM 47.7509
137 1VPV PLM 50
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