Receptor
PDB id Resolution Class Description Source Keywords
1MFA 1.7 Å NON-ENZYME: IMMUNE STRUCTURE OF A SINGLE-CHAIN FV FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7 ANGSTROMS RESOLUTION MUS MUSCULUS IMMUNOGLOBULIN
Ref.: STRUCTURE OF A SINGLE-CHAIN ANTIBODY VARIABLE DOMAIN (FV) FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7-A RESOLUTION. PROC.NATL.ACAD.SCI.USA V. 91 6423 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLA MMA ABE H:501;
Valid;
none;
Kd = 9.1 uM
486.467 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MFA 1.7 Å NON-ENZYME: IMMUNE STRUCTURE OF A SINGLE-CHAIN FV FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7 ANGSTROMS RESOLUTION MUS MUSCULUS IMMUNOGLOBULIN
Ref.: STRUCTURE OF A SINGLE-CHAIN ANTIBODY VARIABLE DOMAIN (FV) FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7-A RESOLUTION. PROC.NATL.ACAD.SCI.USA V. 91 6423 1994
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
2 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
3 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
4 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
5 1OAU Kd = 20 nM DNF SER n/a n/a
6 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLA MMA ABE; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA MMA ABE 1 1
2 GLA MAN ABE 0.710145 0.947368
3 GLA MAN RAM ABE 0.688312 0.973684
4 GLA MAN RAM TYV GLA MAN RAM TYV 0.595506 0.948718
5 GLA MAN RAM ABE GLA MAN RAM ABE 0.595506 0.948718
6 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.576087 0.948718
7 GLA MAN RAM RAM ABE MAN GLA 0.557895 0.948718
8 GLA MBG 0.507692 0.921053
9 MDM 0.485294 0.921053
10 GAL MBG 0.485294 0.921053
11 M13 0.485294 0.921053
12 BGC GLA GAL FUC 0.452381 0.894737
13 DR5 0.442857 0.921053
14 MMA MAN 0.442857 0.921053
15 BGB 0.44186 0.8
16 GLA GAL FUC 0.441558 0.894737
17 FUC GLA GLA 0.441558 0.894737
18 FUC GAL GLA 0.441558 0.894737
19 GLA GLA FUC 0.441558 0.894737
20 GAL GAL FUC 0.441558 0.894737
21 DOM 0.43662 0.871795
22 BMA MAN 0.43662 0.846154
23 GAL MGC 0.434211 0.734694
24 5QP 0.424658 0.820513
25 FUC BGC GAL 0.417722 0.894737
26 LB2 0.414286 0.868421
27 M3M 0.414286 0.868421
28 MAN GLC 0.414286 0.868421
29 GAL FUC 0.410959 0.868421
30 NOY BGC 0.405405 0.673469
31 BGC BGC BGC 0.405405 0.868421
32 BGC BGC BGC ASO BGC BGC ASO 0.405405 0.868421
33 GLC BGC BGC BGC BGC BGC BGC 0.405405 0.868421
34 BGC BGC BGC GLC BGC BGC 0.405405 0.868421
35 BGC BGC BGC BGC BGC 0.405405 0.868421
36 GLC BGC BGC BGC 0.405405 0.868421
37 TRE 0.403226 0.868421
38 IFM BGC 0.4 0.702128
39 MAN MMA MAN 0.4 0.921053
40 BMA IFM 0.4 0.702128
41 BGC OXZ 0.4 0.634615
42 IFM BMA 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MFA; Ligand: GLA MMA ABE; Similar sites found: 51
This union binding pocket(no: 1) in the query (biounit: 1mfa.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZUI SKM 0.01084 0.44219 None
2 4WKB TDI 0.02332 0.40477 None
3 1T32 OHH 0.02385 0.40187 None
4 3LZW FAD 0.0334 0.41383 3.93701
5 5OO5 UUA 0.006531 0.43022 4.16667
6 2VHJ ADP 0.01043 0.42604 5
7 2XVD AS6 0.03655 0.40124 5
8 1OFD AKG 0.01974 0.42429 5.51181
9 1OFD FMN 0.02151 0.42429 5.51181
10 1OS1 PYR 0.03364 0.41247 5.83333
11 1OS1 ATP 0.03201 0.41247 5.83333
12 4QYS PLP SEP 0.03118 0.40473 6.29921
13 3SIG AR6 0.01866 0.41384 6.66667
14 3SUD SUE 0.03157 0.40114 6.66667
15 5GM9 CBK 0.01266 0.42948 7.08661
16 1EB1 ZAL PRO MMO 0.03421 0.41214 7.08661
17 5O4J 9KH 0.03806 0.40764 7.08661
18 5O4J SAH 0.03806 0.40764 7.08661
19 5O4J PJL 0.04134 0.40444 7.08661
20 3WGT QSC 0.03268 0.42447 7.5
21 3WGT FAD 0.03175 0.42447 7.5
22 3UN3 G16 0.008129 0.42434 7.87402
23 3VNM SDD 0.008365 0.41908 7.87402
24 3JSX CC2 0.04497 0.40391 8.33333
25 5GT9 NAP 0.02008 0.42157 8.66142
26 1ZOS MTM 0.01177 0.41135 8.66142
27 3IHG VAK 0.01729 0.40865 8.66142
28 1Y60 H4M 0.002119 0.46659 9.16667
29 4HIA FMN 0.0378 0.40849 9.16667
30 1D1T NAD 0.04385 0.40505 10
31 3TNF GNP 0.03351 0.40468 10.2362
32 3D5Z FUB AHR AHR 0.009916 0.42466 10.8333
33 5WRJ A3P 0.03106 0.40168 10.8333
34 1NHX PEP 0.03932 0.41042 11.0236
35 1NHX FTB 0.04064 0.41042 11.0236
36 4S3R 7SA 0.03853 0.40627 11.6667
37 5BRE 4UZ 0.03441 0.41399 11.811
38 4BGB ADP 0.01695 0.40072 11.811
39 1XPM CAA 0.0395 0.40018 11.811
40 1XPM HMG 0.04627 0.40018 11.811
41 5XLY C2E 0.01205 0.41573 12.5984
42 4L77 CNL 0.01423 0.40107 12.5984
43 4J4H 1J1 0.04892 0.41515 14.1667
44 1IHU ADP 0.01063 0.42812 14.1732
45 2BJU IH4 0.03036 0.41108 14.1732
46 4G87 UD1 0.0157 0.42735 15
47 1OJ7 NZQ 0.01235 0.43707 15.748
48 1Z4O GL1 0.01749 0.41959 15.8333
49 4TQG NDP 0.02644 0.41085 15.8333
50 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.03955 0.40787 15.8333
51 4RQU NAD 0.0317 0.40988 24.1667
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