Receptor
PDB id Resolution Class Description Source Keywords
2YLN 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE L-CYSTINE SOLUTE RECEPTOR OF NEISSERIA GONORRHOEAE IN THE CLOSED CONFORMATION NEISSERIA GONORRHOEAE TRANSPORT PROTEIN TRANSPORTER ABC-TRANSPORTER SOLUTE-BINDPROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO SOLUTE RECEPTORS FOR L-CY AND L-CYSTEINE, RESPECTIVELY, OF THE HUMAN PATHOGEN NEISSERIA GONORRHOEAE. J.MOL.BIOL. V. 415 560 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:500;
A:600;
Valid;
Valid;
none;
none;
Kd = 21 nM
121.158 C3 H7 N O2 S C([C@...
GOL A:1278;
A:1279;
A:1280;
A:1281;
A:1282;
A:1283;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1276;
A:1277;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YLN 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE L-CYSTINE SOLUTE RECEPTOR OF NEISSERIA GONORRHOEAE IN THE CLOSED CONFORMATION NEISSERIA GONORRHOEAE TRANSPORT PROTEIN TRANSPORTER ABC-TRANSPORTER SOLUTE-BINDPROTEIN
Ref.: CRYSTAL STRUCTURES OF TWO SOLUTE RECEPTORS FOR L-CY AND L-CYSTEINE, RESPECTIVELY, OF THE HUMAN PATHOGEN NEISSERIA GONORRHOEAE. J.MOL.BIOL. V. 415 560 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2YLN Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2YLN Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2YLN Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YLN; Ligand: CYS; 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: 2yln.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YLN; Ligand: CYS; Similar sites found: 74
This union binding pocket(no: 2) in the query (biounit: 2yln.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LW0 AR6 0.009136 0.43133 0.865801
2 3UWB BB2 0.004613 0.4509 1.94805
3 4MO2 FAD 0.04071 0.41485 2.12014
4 4MO2 FDA 0.03928 0.41458 2.12014
5 4PNE SAH 0.02421 0.40701 2.12014
6 1E4E PHY 0.02177 0.4031 2.12014
7 1V59 FAD 0.01833 0.43725 2.4735
8 2P2V CSF 0.007601 0.43472 2.4735
9 2PVN P63 0.01818 0.41427 2.4735
10 2QFY AKG 0.04206 0.40308 2.4735
11 2UUU FAD 0.02897 0.43512 2.82686
12 2UUU PL3 0.03427 0.43492 2.82686
13 3A8T ATP 0.01201 0.41545 2.82686
14 4HXY NDP 0.04554 0.40293 2.82686
15 3BZ3 YAM 0.04923 0.41884 2.89855
16 3DHV DAL AMP 0.01504 0.41963 3.18021
17 3COW 52H 0.03763 0.41859 3.18021
18 4M52 FAD 0.03745 0.41763 3.18021
19 2VVL FAD 0.04634 0.41443 3.18021
20 2VVM FAD 0.04557 0.41383 3.18021
21 3JYN NDP 0.01232 0.43944 3.53357
22 4H4D 10E 0.01216 0.41079 3.53357
23 1K4M NAD 0.03838 0.40614 3.75587
24 3W6C NAG NAG 0.01076 0.43718 3.82514
25 4J7U YTZ 0.04728 0.41241 4.24028
26 4J7U NAP 0.04728 0.41241 4.24028
27 3C1M ANP 0.01946 0.40928 4.24028
28 5H41 BGC GLC 0.02653 0.40659 4.59364
29 5K53 STE 0.02707 0.40252 4.59364
30 1E7S NAP 0.04812 0.40202 4.59364
31 3EWR APR 0.0364 0.40051 4.7619
32 3OA2 NAD 0.01901 0.42239 5.30035
33 4RSL FAD 0.0264 0.41804 5.30035
34 4MAF ADX 0.0157 0.41158 5.30035
35 2X05 X05 0.01567 0.4087 5.30035
36 4XTX 590 0.02847 0.41152 5.55556
37 2F5T MAL 0.02506 0.40019 5.5794
38 4RVU NDP 0.02131 0.42591 5.65371
39 5JBE GLC GLC GLC GLC GLC 0.035 0.41422 5.65371
40 2RC8 DSN 0.006237 0.40437 5.65371
41 3PFG TLO 0.03677 0.41758 5.70342
42 3R5Y F42 0.03651 0.4013 6.12245
43 2HSA FMN 0.004722 0.45315 6.21891
44 5IBE 69M 0.02301 0.42298 6.36042
45 3DER ALA LYS 0.02173 0.40851 6.71378
46 2F5Z FAD 0.02565 0.4288 8.48057
47 3QFA FAD 0.02518 0.4282 8.48057
48 3RNM FAD 0.02929 0.42489 8.48057
49 1ZMD FAD 0.02755 0.42419 8.48057
50 4L1F FAD 0.03654 0.41003 8.83392
51 2HJR APR 0.03482 0.40356 8.84146
52 5DEX GLY 0.01072 0.40301 10.6007
53 5AA4 6X4 0.006405 0.44648 10.9541
54 1S17 GNR 0.004008 0.44802 11.6667
55 5H56 TYD 0.04434 0.40444 12.0141
56 5H56 ADP 0.04434 0.40444 12.0141
57 4IO2 GLU 0.002282 0.45039 12.5
58 2RCA GLY 0.006414 0.4038 13.0137
59 5CPR SAM 0.04226 0.40149 14.5522
60 4WXJ GLU 0.002051 0.44388 18.5874
61 3M6P BB2 0.005235 0.43838 21.2435
62 2BR6 HSL 0.03039 0.40282 23.0159
63 3OEN GLU 0.01163 0.40787 35.3357
64 5CMK GLU 0.03235 0.40049 35.9073
65 3FV1 DYH 0.007363 0.44229 38.6719
66 1II5 GLU 0.004904 0.4192 39.0558
67 2Q2A ARG 0.0002669 0.4905 40.8088
68 4POW OP1 0.001237 0.47591 43.7736
69 2PYY GLU 0.00438 0.42858 45.614
70 4KQP GLN 0.0001756 0.49377 46.9828
71 2Y7I ARG 0.0002067 0.49346 47.1616
72 4C0R GDS 0.00003412 0.56189 47.1774
73 1HSL HIS 0.0002705 0.47937 48.3193
74 1WDN GLN 0.001516 0.42047 48.6726
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