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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 209 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 175 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 149 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: 34
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 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 MED 0.4 0.666667
32 DLY 0.4 0.714286
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YLN; Ligand: CYS; Similar sites found with APoc: 70
This union binding pocket(no: 1) in the query (biounit: 2yln.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4RFM 3P6 0.75188
2 2BEK ATP 1.76678
3 5E1M PRO PRO LYS ARG ILE ALA 2.07469
4 5E1M SAH 2.07469
5 2ZJ1 ARJ 2.12014
6 2ZJ1 NAD 2.12014
7 2QRK AMP 2.4735
8 1YP4 ADP 2.4735
9 1ZBQ NAD 2.4735
10 3A4V NAD 2.82686
11 3A4V PYR 2.82686
12 6F3M NAD 2.82686
13 6C2Z P1T 2.82686
14 5B3A 0JO 3.18021
15 1G6O ADP 3.18021
16 2OGA PGU 3.18021
17 4LCQ URQ 3.53357
18 5NUE NAD 3.53357
19 2J7T 274 3.53357
20 4K2M O1G 3.53357
21 1X87 NAD 3.53357
22 3DR4 G4M 3.53357
23 5WKC TP9 3.88693
24 1T9D PYD 3.88693
25 4TWP AXI 4.05904
26 5U23 TQP 4.24028
27 3A1C ACP 4.24028
28 6CZ3 FLJ 4.54545
29 5XVS NAG 4.59364
30 1Q19 APC 4.59364
31 4NNB OAA 4.59364
32 1RPN NDP 4.59364
33 2YVJ NAI 4.90196
34 1ONI BEZ 5.07246
35 4ORR PE3 5.26316
36 6GVD FDK 5.30035
37 6GFK SAH 5.30035
38 4NZF ARB 5.30035
39 5NNA BZM 5.68182
40 3FRK TQP 6.00707
41 1WG8 SAM 6.36042
42 4CQM NAP 6.55738
43 5KOR GDP 6.71378
44 4YRY NAD 7.06714
45 4YRY FAD 7.06714
46 1HYH NAD 7.06714
47 5K4W THR 7.06714
48 5K4W NAI 7.06714
49 4I42 1HA 7.06714
50 1VL0 NAI 7.06714
51 4RJK TDL 7.06714
52 4RJK TPP 7.06714
53 6CZI 38E 7.14286
54 5W8Q BU4 7.42049
55 5Y4R C2E 8.27586
56 2F5X ASP 8.48057
57 4IDC NDP 8.83392
58 4IDC 1XX 8.83392
59 2HJR APR 8.84146
60 5XLY C2E 9.02256
61 3TXO 07U 9.18728
62 2Y5D NAP 10.6007
63 5AA4 6X4 10.9541
64 4E3Q PMP 10.9541
65 2Z3Y F2N 13.4276
66 6FCX SAH 14.841
67 4ZOH FAD 14.881
68 3WBG 2AN 15.0327
69 5HZ9 5M8 17.037
70 1F76 FMN 19.0813
Pocket No.: 2; Query (leader) PDB : 2YLN; Ligand: CYS; Similar sites found with APoc: 98
This union binding pocket(no: 2) in the query (biounit: 2yln.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4PYA 2X3 None
2 5LW0 AR6 0.865801
3 5L13 6ZE 1.76678
4 3UWB BB2 1.94805
5 4MO2 FAD 2.12014
6 4MO2 FDA 2.12014
7 4PNE SAH 2.12014
8 1E4E PHY 2.12014
9 1V59 FAD 2.4735
10 2PVN P63 2.4735
11 3IQE F42 2.4735
12 2QFY AKG 2.4735
13 5N81 8Q2 2.82686
14 2UUU FAD 2.82686
15 2UUU PL3 2.82686
16 3QWB NDP 2.82686
17 2RAB FAD 2.82686
18 3A8T ATP 2.82686
19 4HXY NDP 2.82686
20 3BZ3 YAM 2.89855
21 3DHV DAL AMP 3.18021
22 3COW 52H 3.18021
23 4M52 FAD 3.18021
24 2VVL FAD 3.18021
25 2VVM FAD 3.18021
26 5WX3 COA 3.18021
27 4HCX NDP 3.18021
28 3JYN NDP 3.53357
29 4H4D 10E 3.53357
30 1K4M NAD 3.75587
31 3W6C NAG NAG 3.82514
32 4U9W COA 3.88693
33 6GKV SAH 3.88693
34 4J7U NAP 4.24028
35 4J7U YTZ 4.24028
36 3C1M ANP 4.24028
37 3RUV ANP 4.24028
38 2UXR ICT 4.24028
39 5H41 BGC GLC 4.59364
40 5K53 STE 4.59364
41 3EWR APR 4.7619
42 1IXE COA 4.947
43 3OA2 NAD 5.30035
44 4RSL FAD 5.30035
45 4MAF ADX 5.30035
46 2X05 X05 5.30035
47 4XTX 590 5.55556
48 2F5T MAL 5.5794
49 3AXB FAD 5.58036
50 4RVU NDP 5.65371
51 2RC8 DSN 5.65371
52 5JBE GLC GLC GLC GLC GLC 5.65371
53 3PFG SAM 5.70342
54 3PFG TLO 5.70342
55 5O4J SAH 6.00707
56 5O4J 9KH 6.00707
57 1AJ0 PH2 6.00707
58 1AJ0 SAN 6.00707
59 5IFS ADP 6.00707
60 6F4W FMC 6.00858
61 3R5Y F42 6.12245
62 2HSA FMN 6.21891
63 5IBE 69M 6.36042
64 3DER ALA LYS 6.71378
65 6GMN F4E 6.73077
66 3ND6 ATP 7.60234
67 3QFA FAD 8.48057
68 3RNM FAD 8.48057
69 2F5Z FAD 8.48057
70 4L1F FAD 8.83392
71 1M5W DXP 9.0535
72 5KOK SAH 9.89399
73 5DEX GLY 10.6007
74 1S17 GNR 11.6667
75 3ZV6 NAD 11.7438
76 3ZV6 4HB 11.7438
77 3GCM 5GP 12.1951
78 4IO2 GLU 12.5
79 5J60 FAD 12.7208
80 2RCA GLY 13.0137
81 5ZCO TGL 14.2857
82 5YVT NAI 18.3746
83 4WXJ GLU 18.5874
84 4F2Q QUS 18.9922
85 3M6P BB2 21.2435
86 2BR6 HSL 23.0159
87 3OEN GLU 35.3357
88 6H1U ASP 37.4558
89 3FV1 DYH 38.6719
90 1II5 GLU 39.0558
91 5ORG 6DB 42.2053
92 4POW OP1 43.7736
93 2PYY GLU 45.614
94 4KQP GLN 46.9828
95 2Y7I ARG 47.1616
96 4C0R GDS 47.1774
97 1HSL HIS 48.3193
98 1WDN GLN 48.6726
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