Receptor
PDB id Resolution Class Description Source Keywords
6ID4 2.4 Å NON-ENZYME: IMMUNE DEFINING THE STRUCTURAL BASIS FOR HUMAN ALLOANTIBODY BINDING LEUKOCYTE ANTIGEN ALLELE HLA-A*11:01 HOMO SAPIENS IMMUNE SYSTEM
Ref.: DEFINING THE STRUCTURAL BASIS FOR HUMAN ALLOANTIBOD TO HUMAN LEUKOCYTE ANTIGEN ALLELE HLA-A*11:01. NAT COMMUN V. 10 893 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL E:402;
A:401;
B:102;
A:403;
D:601;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ALA ILE PHE GLN SER SER MET THR LYS U:1;
T:1;
Valid;
Valid;
none;
none;
Kd = 0.00000145 M
1013.21 n/a S(CCC...
PEG E:403;
F:801;
E:401;
B:101;
A:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ID4 2.4 Å NON-ENZYME: IMMUNE DEFINING THE STRUCTURAL BASIS FOR HUMAN ALLOANTIBODY BINDING LEUKOCYTE ANTIGEN ALLELE HLA-A*11:01 HOMO SAPIENS IMMUNE SYSTEM
Ref.: DEFINING THE STRUCTURAL BASIS FOR HUMAN ALLOANTIBOD TO HUMAN LEUKOCYTE ANTIGEN ALLELE HLA-A*11:01. NAT COMMUN V. 10 893 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
10 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ILE PHE GLN SER SER MET THR LYS; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ILE PHE GLN SER SER MET THR LYS 1 1
2 VAL GLN GLN GLU SER SER PHE VAL MET 0.556452 0.892857
3 ILE MET ILE SER PHE 0.5 0.836364
4 LEU PRO PHE ASP LYS SER THR ILE MET 0.490446 0.820895
5 THR PHE ALY SER ILE MET LYS 0.48951 0.946429
6 LYS MET ASN THR GLN PHE THR ALA VAL 0.485915 0.929825
7 FME TYR PHE ILE ASN ILE LEU THR LEU 0.478873 0.790323
8 SER LEU LEU MET TRP ILE THR GLN SER 0.469388 0.8125
9 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.466667 0.793103
10 SER LEU LEU MET TRP ILE THR GLN LEU 0.462585 0.8125
11 LYS ALA VAL PHE ASN PHE ALA THR MET 0.460993 0.881356
12 SER LEU LEU MET TRP ILE THR GLN CYS 0.46 0.8125
13 MET LEU ILE TYR SER MET TRP GLY LYS 0.457317 0.794118
14 THR PHE LYS LYS THR ASN 0.456 0.857143
15 SER TRP PHE GLN THR ASP LEU 0.455782 0.707692
16 ALA SER ASN GLU ASN MET GLU THR MET 0.455285 0.842105
17 LEU PRO PHE ASP LYS THR THR ILE MET 0.455128 0.80597
18 ALA SER ASN GLU ASN TRP GLU THR MET 0.454545 0.796875
19 ALA VAL TYR ASN PHE ALA THR MET 0.453237 0.758065
20 TYS ILE TYS THR GLN 0.453125 0.6
21 LEU PRO PHE GLU LYS SER THR VAL MET 0.452229 0.80597
22 CYS THR PHE LYS THR LYS THR ASN 0.449612 0.875
23 TYR SER THR CYS TYR PHE ILE MET 0.449275 0.816667
24 ALA GLN PHE SER ALA SER ALA SER ARG 0.44697 0.754098
25 SER LEU LEU MET TRP ILE THR GLN ALA 0.446667 0.8125
26 LYS ALA VAL TYR ASN PHE ALA THR MET 0.445946 0.83871
27 THR LYS CYS VAL PHE MET 0.443609 0.910714
28 CYS VAL PHE MET 0.441667 0.75
29 ALA SER ASN GLU ASP MET GLU THR MET 0.440945 0.842105
30 ILE MET ASP GLN VAL PRO PHE SER VAL 0.43949 0.791045
31 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.434109 0.639344
32 ALA SER ASN GLU HIS MET GLU THR MET 0.432624 0.809524
33 LEU PRO PHE ASP ARG THR THR ILE MET 0.432099 0.739726
34 THR LYS ASN TYR LYS GLN PHE SER VAL 0.431655 0.774194
35 GLU GLN TYR LYS PHE TYR SER VAL 0.431655 0.786885
36 LEU PRO PHE GLU ARG ALA THR ILE MET 0.431138 0.726027
37 ACE MET GLU GLU VAL PHE 0.430894 0.736842
38 ACE ILE TYR GLU SER LEU 0.429688 0.762712
39 SER ILE ILE ASN PHE GLU LYS LEU 0.429577 0.859649
40 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.428571 0.725806
41 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.427673 0.7
42 THR LYS ASN TYR LYS GLN THR SER VAL 0.426573 0.816667
43 ARG ABA GLN ILE PHE ALA ASN ILE 0.425532 0.785714
44 SER ARG TYR TRP ALA ILE ARG THR ARG 0.42236 0.680556
45 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.421429 0.779661
46 ILE LEU ASN ALA MET ILE THR LYS ILE 0.421429 0.859649
47 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.421053 0.774194
48 LYS ALA LEU TYR ASN PHE ALA THR MET 0.421053 0.83871
49 LYS VAL ILE THR PHE ILE ASP LEU 0.41844 0.875
50 ASP PHE GLU GLU ILE 0.418033 0.727273
51 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.417808 0.824561
52 SER PRO ILE VAL PRO SER PHE ASP MET 0.416667 0.794118
53 GLY LEU MET TRP LEU SER TYR PHE VAL 0.415584 0.735294
54 GLY ASN PHE LEU GLN SER ARG 0.415493 0.734375
55 ALA GLU THR PHE 0.415254 0.745455
56 MET PHE SER ILE ASP ASN ILE LEU ALA 0.414966 0.862069
57 ILE THR ASP GLN VAL PRO PHE SER VAL 0.414013 0.746269
58 THR ILE MET MET GLN ARG GLY 0.413534 0.790323
59 GLU THR VAL ARG PHE GLN SER ASP 0.412162 0.741935
60 SER LEU LEU MET TRP ILE THR GLN VAL 0.410256 0.796875
61 THR PRO TYR ASP ILE ASN GLN MET LEU 0.409938 0.732394
62 ACE PHE ASP GLU MET GLU GLU CYS 0.409449 0.803571
63 GLU LEU LYS ARG LYS MET ILE TYR MET 0.409091 0.769231
64 ALA SER ASN GLU ASN ALA GLU THR MET 0.409091 0.842105
65 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.408759 0.807018
66 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.40625 0.714286
67 ACE ASN TRP GLU THR PHE 0.405594 0.636364
68 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.405405 0.704918
69 PHE SER GLN HIS LYS THR SER TPO ILE 0.404908 0.694444
70 GLU ILE ILE ASN PHE GLU LYS LEU 0.402778 0.807018
71 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.402516 0.753846
72 THR TYR LYS PHE PHE GLU GLN 0.4 0.766667
73 SER SER ILE GLU PHE ALA ARG LEU 0.4 0.774194
74 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.4 0.784615
75 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.4 0.766667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6ID4; Ligand: ALA ILE PHE GLN SER SER MET THR LYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6id4.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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