Receptor
PDB id Resolution Class Description Source Keywords
4XCP 2.14 Å NON-ENZYME: BINDING FATTY ACID AND RETINOL BINDING PROTEIN NA-FAR-1 FROM NECATOR AMERICANUS NECATOR AMERICANUS FATTY ACID RETINOL BINDING RETINOL-BINDING PROTEIN
Ref.: DIVERSITY IN THE STRUCTURES AND LIGAND-BINDING SITE NEMATODE FATTY ACID AND RETINOL-BINDING PROTEINS RE NA-FAR-1 FROM NECATOR AMERICANUS. BIOCHEM.J. V. 471 403 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:202;
A:201;
Valid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XCP 2.14 Å NON-ENZYME: BINDING FATTY ACID AND RETINOL BINDING PROTEIN NA-FAR-1 FROM NECATOR AMERICANUS NECATOR AMERICANUS FATTY ACID RETINOL BINDING RETINOL-BINDING PROTEIN
Ref.: DIVERSITY IN THE STRUCTURES AND LIGAND-BINDING SITE NEMATODE FATTY ACID AND RETINOL-BINDING PROTEINS RE NA-FAR-1 FROM NECATOR AMERICANUS. BIOCHEM.J. V. 471 403 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4XCP - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 4XCP - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 4XCP - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XCP; Ligand: PLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4xcp.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XCP; Ligand: PLM; Similar sites found: 127
This union binding pocket(no: 2) in the query (biounit: 4xcp.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IF4 6AK 0.001945 0.47363 None
2 3GZ9 D32 0.005434 0.46116 None
3 5MT9 SRO 0.0423 0.45297 None
4 5CSD ACD 0.02141 0.42316 None
5 3CH6 NAP 0.04936 0.42065 None
6 3CH6 311 0.04936 0.42065 None
7 4JSR 1NQ 0.04637 0.41341 None
8 5JF2 SF7 0.01802 0.40968 None
9 5UFS 1TA 0.02442 0.40759 None
10 2FKW RG1 0.03526 0.40718 None
11 3SVJ 4LI 0.0245 0.40593 None
12 1N5S ADL 0.01795 0.40551 None
13 5DY5 5GR 0.007443 0.4677 1.76471
14 1DTP APU 0.0217 0.40783 1.76471
15 5B25 4QJ 0.02804 0.40614 1.76471
16 2XMY CDK 0.01485 0.45685 2.34899
17 2ZKJ ADP 0.006676 0.45387 2.35294
18 5B0W 22B 0.04362 0.40481 2.35294
19 5LP1 71H 0.00374 0.45995 2.94118
20 3W68 VIV 0.01159 0.42904 2.94118
21 4PNE SAH 0.03236 0.40389 2.94118
22 5APJ 76E 0.005741 0.44372 3.52941
23 1R5L VIV 0.009568 0.43623 3.52941
24 5C2H 4PX 0.02402 0.42419 3.52941
25 4QWT ACD 0.01923 0.41679 3.52941
26 5C2H 4XU 0.02898 0.41391 3.52941
27 5B4B LP5 0.03467 0.40703 3.52941
28 3KXC PLM 0.01152 0.42888 3.79747
29 4UA3 COA 0.01021 0.42639 4.11765
30 3E8T UQ8 0.04838 0.41697 4.11765
31 4PJT 2YQ 0.027 0.41399 4.11765
32 1LBT T80 0.02197 0.41101 4.11765
33 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.04035 0.40846 4.11765
34 1YMT DR9 0.03948 0.40483 4.11765
35 4U0I 0LI 0.04158 0.40329 4.11765
36 4IEH 1E9 0.03273 0.40206 4.14201
37 4ZOM 4Q3 0.004244 0.43655 4.70588
38 5APK 76E 0.01079 0.43108 4.70588
39 4WPF 3SN 0.00918 0.42988 4.70588
40 5NTW 98N 0.01235 0.42767 4.70588
41 3G08 FEE 0.0401 0.42052 4.70588
42 1N4H REA 0.01328 0.42005 4.70588
43 2WYA HMG 0.02336 0.4174 4.70588
44 3PF7 MLA 0.03715 0.412 4.70588
45 1G94 DAF GLC DAF GLC GLC 0.02461 0.40932 4.70588
46 1ZXM ANP 0.025 0.40841 4.70588
47 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.03552 0.40804 4.70588
48 2IZ1 RES 0.02452 0.40774 4.70588
49 3NTA COA 0.04797 0.4002 4.70588
50 3FWN 6PG 0.02747 0.40012 4.70588
51 2O5L MNR 0.0154 0.40953 5.22876
52 4IGH ORO 0.0335 0.43067 5.29412
53 4IGH 1EA 0.0335 0.43067 5.29412
54 4IGH FMN 0.0335 0.43067 5.29412
55 2EVL GAL SPH EIC 0.04652 0.41582 5.29412
56 1RJD SAM 0.02011 0.41007 5.29412
57 4B7H NDP 0.01543 0.40977 5.29412
58 5K13 6Q7 0.02296 0.40671 5.29412
59 4KBS PX2 0.04329 0.40591 5.29412
60 1O5R FR9 0.04103 0.40451 5.29412
61 4PIV 2W4 0.02426 0.40239 5.29412
62 3WCA FPS 0.04323 0.40026 5.29412
63 4HBM 0Y7 0.01077 0.41764 5.83333
64 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.03033 0.40188 5.88235
65 4CRL C1I 0.04406 0.40137 5.88235
66 4POJ 2VP 0.02229 0.40692 6.06061
67 4M8E 29V 0.02328 0.40412 6.06061
68 3EWC MCF 0.00119 0.48047 6.47059
69 3FUR Z12 0.03931 0.42054 6.47059
70 4BXK 1IU 0.03096 0.41718 6.47059
71 3G9E RO7 0.03144 0.41581 6.47059
72 2R40 EPH 0.02012 0.41538 6.47059
73 2O4J VD4 0.03418 0.40477 6.47059
74 1M13 HYF 0.04187 0.40382 6.47059
75 4BQH 9VU 0.02453 0.40202 6.47059
76 3ET3 ET1 0.03063 0.40056 6.47059
77 2A06 SMA 0.01052 0.43907 7.05882
78 2R3A SAM 0.008764 0.4266 7.05882
79 3VVY ET 0.02382 0.41099 7.05882
80 4X9X OLA 0.02887 0.40876 7.05882
81 5X1M DHB 0.03579 0.40732 7.05882
82 1XVB BHL 0.04433 0.40699 7.05882
83 3RYC GTP 0.0414 0.40314 7.05882
84 2C9E PID 0.02701 0.40294 7.05882
85 1HG4 LPP 0.03851 0.40257 7.52688
86 2OBD PCW 0.002712 0.46778 7.64706
87 3GFZ FMN 0.00619 0.4238 7.64706
88 4P42 PEE 0.02335 0.41269 7.64706
89 4GBD MCF 0.01795 0.40983 7.64706
90 2NPA MMB 0.0335 0.40188 7.64706
91 1N20 3AG 0.0292 0.40108 7.64706
92 1K7L 544 0.04127 0.40025 7.64706
93 1YUC EPH 0.02034 0.41842 8.23529
94 2PX6 DH9 0.009313 0.42561 8.82353
95 4P3H 25G 0.02583 0.407 8.82353
96 1WDK N8E 0.01844 0.40477 8.82353
97 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.01689 0.43119 10
98 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.02589 0.42676 10
99 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.01497 0.42635 10
100 4RC8 STE 0.01692 0.41565 10
101 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 0.04156 0.40462 10
102 5LWY OLA 0.02044 0.40309 10
103 5U98 1KX 0.04026 0.4243 10.101
104 3HUJ AGH 0.03479 0.42106 10.101
105 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.03278 0.40749 10.101
106 4V24 GYR 0.01043 0.42528 10.5882
107 1YKI NFZ 0.03607 0.41307 10.5882
108 3QKD HI0 0.02944 0.40217 11.1765
109 4F7E 0SH 0.02373 0.42304 11.2245
110 3CXH SMA 0.0008716 0.48801 12.3529
111 3CX5 SMA 0.001778 0.46983 12.3529
112 3V78 ET 0.003723 0.43493 12.3529
113 3E2M E2M 0.01765 0.42093 12.9412
114 2C78 PUL 0.03805 0.42282 13.5294
115 4KRG SAH 0.01901 0.40937 13.5294
116 2FGE ALA ALA LEU THR ARG ALA 0.01707 0.40732 14.1176
117 2IBZ SMA 0.0006974 0.48845 14.8649
118 1O6U PLM 0.01295 0.41564 15.2941
119 2FP2 TSA 0.02206 0.40629 15.6627
120 3T6E UQ9 0.005539 0.45396 16.4706
121 1OLM VTQ 0.01329 0.42992 17.0588
122 4OMJ 2TX 0.01688 0.42937 17.0588
123 2QJY SMA 0.004043 0.44702 22.3529
124 2DYS PSC 0.02001 0.42182 23.4043
125 2DYR PSC 0.02243 0.41605 23.4043
126 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.02228 0.42569 24.1176
127 5MWE TCE 0.002931 0.43264 24.2857
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