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Receptor
PDB id Resolution Class Description Source Keywords
2ZYI 2.3 Å EC: 3.1.1.3 A. FULGIDUS LIPASE WITH FATTY ACID FRAGMENT AND CALCIUM ARCHAEOGLOBUS FULGIDUS LIPASE ARCHAEOGLOBUS FULGIDUS FATTY ACID HYDROLASE
Ref.: STRUCTURE OF THE ALKALOHYPERTHERMOPHILIC ARCHAEOGLO FULGIDUS LIPASE CONTAINS A UNIQUE C-TERMINAL DOMAIN ESSENTIAL FOR LONG-CHAIN SUBSTRATE BINDING. J.MOL.BIOL. V. 390 672 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:700;
B:700;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
STE A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
284.477 C18 H36 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZYI 2.3 Å EC: 3.1.1.3 A. FULGIDUS LIPASE WITH FATTY ACID FRAGMENT AND CALCIUM ARCHAEOGLOBUS FULGIDUS LIPASE ARCHAEOGLOBUS FULGIDUS FATTY ACID HYDROLASE
Ref.: STRUCTURE OF THE ALKALOHYPERTHERMOPHILIC ARCHAEOGLO FULGIDUS LIPASE CONTAINS A UNIQUE C-TERMINAL DOMAIN ESSENTIAL FOR LONG-CHAIN SUBSTRATE BINDING. J.MOL.BIOL. V. 390 672 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2ZYI - STE C18 H36 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 5 families.
1 2ZYI - STE C18 H36 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 4 families.
1 2ZYI - STE C18 H36 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STE; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZYI; Ligand: STE; Similar sites found with APoc: 174
This union binding pocket(no: 1) in the query (biounit: 2zyi.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5YU3 PRO 1.16279
3 5YU3 NAD 1.16279
4 1U5R ATP 1.43678
5 4XCZ T3Q 1.43885
6 4B2Z P5S 1.5625
7 4CCK OGA 1.71306
8 4Y3O OGA 1.71674
9 5YSQ INS 1.74825
10 4Y85 499 1.80723
11 4BXF AKG 1.80995
12 4KBA 1QM 1.81269
13 2RFY CBI 1.86047
14 2RG0 CBI 1.86047
15 4O1P ANP 1.89474
16 2X1L MET 1.89474
17 5DMZ ADP 1.91781
18 4CCN OGA 1.92719
19 2R5V HHH 1.96078
20 5BTX CMP 2.05479
21 2GJP MAL 2.10526
22 6AC9 ANP 2.10526
23 1J3R 6PG 2.10526
24 4U44 3D9 2.10843
25 3ALN ANP 2.14067
26 3F7Z 34O 2.28571
27 5L2R MLA 2.31579
28 5OES ADP 2.31579
29 2ZV2 609 2.34899
30 5BVE 4VG 2.49307
31 5DZT AMP 2.52632
32 5QIN J2V 2.53165
33 4QDF 30Q 2.53807
34 4RYV ZEA 2.58065
35 5Y86 HRM 2.73684
36 2OVD DAO 2.74725
37 1VAY AZA 2.78746
38 4WNP 3RJ 2.78746
39 4N14 WR7 2.86624
40 6GN6 MAL 2.90828
41 5YF9 NIO 2.94985
42 1NKI PPF 2.96296
43 3Q60 ATP 2.96496
44 5DXI TRE 2.98013
45 3M3E GAL A2G NPO 3.10559
46 3SAO NKN 3.125
47 1Y7P RIP 3.13901
48 4CYI ATP 3.19635
49 1OFZ FUC 3.20513
50 1OFZ FUL 3.20513
51 4IJP 1EH 3.35196
52 4RF7 ARG 3.36842
53 4JX1 CAH 3.37349
54 3RK0 AMP 3.37553
55 4N7C AEF 3.40909
56 4WGF HX2 3.41463
57 1X7D ORN 3.42857
58 4XCB AKG 3.44828
59 2P4S DIH 3.48525
60 3FHR P4O 3.57143
61 3GDN MXN 3.57895
62 3DLS ADP 3.58209
63 6D61 4AA 3.58974
64 5GZ9 ANP 3.60656
65 1IS3 LAT 3.7037
66 5WBF LAC 3.7037
67 3WV6 GAL BGC 3.71622
68 6AYU MLI 3.7464
69 3DAK ANP 3.7931
70 3WLV AZA 3.84615
71 3WG3 A2G GAL NAG FUC 3.93258
72 1RQH PYR 4
73 3M2W L8I 4.01338
74 4UAL 3FV 4.05728
75 5EW9 5VC 4.05904
76 5LXB 7A9 4.13223
77 5HV0 AKG 4.14747
78 4RDL FUC GAL NDG FUC 4.22078
79 5XQW 8EU 4.2654
80 4P25 FUC GAL NAG FUC 4.30464
81 1A78 TDG 4.47761
82 6MPT C30 4.54545
83 5AOA PPI 4.54545
84 3ZGJ RMN 4.58221
85 4FBL SPD 4.62633
86 3SRV S19 4.69314
87 2F7A BEZ 4.74138
88 4D52 GIV 4.7619
89 1I82 BGC BGC 4.7619
90 4D52 GXL 4.7619
91 6GUE FB8 4.85075
92 5AX9 4KT 4.87013
93 4BCN T9N 4.96183
94 3LE7 ADE 4.98084
95 1OIJ AKG 4.98339
96 2X2M X2M 5.09554
97 1QFT HSM 5.14286
98 3U1T MLI 5.17799
99 2D3N GLC GLC GLC 5.26316
100 4LRJ ANP 5.32544
101 4EKQ NPO 5.34759
102 1V7R CIT 5.37634
103 4WVW SLT 5.55556
104 3VV1 GAL FUC 5.625
105 5GLT BGC GAL NAG GAL 5.6338
106 1OS7 AKG 5.65371
107 5HZX 2GE 5.68182
108 3TDV GDP 5.88235
109 4CSD MFU 5.88235
110 2GQR ADP 5.90717
111 6FOF LAT 6.12245
112 3K4Z CBI 6.22837
113 3TXO 07U 6.23229
114 4XH0 ADP 6.31579
115 2HZQ STR 6.32184
116 2GQS ADP 6.32911
117 5AIG VPR 6.4
118 3H9R TAK 6.42202
119 1A8S PPI 6.59341
120 1TMX BEZ 6.82594
121 3VSV XYP 6.94737
122 3BRN SRO 7.00637
123 3RGA LSB 7.06714
124 4OAV ACP 7.15789
125 1JGU HBC 7.27273
126 2A19 ANP 7.42857
127 4UHF BUA 7.44681
128 2GC0 PAN 7.44681
129 2IUW AKG 7.56302
130 3B12 FAH 7.56579
131 6F7X MFU 7.77778
132 2BS5 BGC GAL FUC 7.77778
133 4JH6 FCN 7.97101
134 3ZW2 NAG GAL FUC 8.04598
135 2IYG FMN 8.06452
136 3BU1 HSM 8.10811
137 3X01 AMP 8.14249
138 5EYY MDM 8.16327
139 5XH2 NPO 8.39695
140 4M1U A2G MBG 8.41751
141 3VMG 9CA 8.69565
142 6EXF LYS 8.87097
143 6GNO XDI 8.88889
144 5JSP DQY 8.95522
145 6F6D AKG 9.05263
146 5H9Q TD2 9.67742
147 1T66 FLU 10.0457
148 2BWA GLC BGC 10.1322
149 5NBW 8SK 10.2804
150 1MEX RAC 10.3286
151 2P7Q GG6 10.5263
152 3RET SAL 10.8911
153 3RET PYR 10.8911
154 2JIG PD2 11.1607
155 3ZXE PGZ 11.2782
156 2D6M LBT 11.3208
157 1C1L GAL BGC 12.4088
158 3WUD GLC GAL 12.5
159 5NFB 8VT 13.0682
160 5HQ0 LZ9 13.0952
161 4YGF AZM 13.2479
162 5ZRR 9J3 13.5849
163 4XDA RIB 13.9159
164 5FU3 BGC BGC BGC 14.1509
165 5V3D FCN 15.1724
166 1N5S ADL 16.0714
167 4F9C 0SX 16.6667
168 5TPV TYD 18.9542
169 4XQM MAN 20.2128
170 1VKF CIT 21.8085
171 4CCO OGA 25
172 5M36 9SZ 26.3158
173 2QL9 CIT 28.866
174 4ZGM 32M 35.4839
Pocket No.: 2; Query (leader) PDB : 2ZYI; Ligand: STE; Similar sites found with APoc: 39
This union binding pocket(no: 2) in the query (biounit: 2zyi.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5JIB OIA 1.78042
2 2WKW W22 2.13415
3 1QVJ RP5 2.39726
4 2ET1 GLV 2.48756
5 4CIB 7UZ 2.63736
6 5XLS URA 2.75862
7 2CBZ ATP 2.95359
8 5HC0 NPO 3.0137
9 3QM1 ZYC 3.39623
10 5CXX FER 4
11 1Y7I SAL 4.10448
12 5LP1 71H 4.38144
13 5YXC CIT 4.62963
14 4D4U FUC GAL NAG 4.7619
15 1COY FAD 4.84211
16 5UIJ TYD 4.93827
17 5T7I LAT NAG GAL 5.16129
18 4MYD 164 5.55556
19 3WXL ADP 5.68421
20 4ZXF 4S7 5.88235
21 1VBO MAN MAN MAN 6.04027
22 2WTN FER 6.3745
23 5N53 8NB 6.66667
24 4AML GYU 7.01754
25 4B1M FRU FRU 7.02703
26 6CS9 PIO 7.31707
27 1A8U BEZ 7.58123
28 4Y8D 49J 8.57143
29 2HXT EHM 8.61678
30 6C8X BVR 9.09091
31 3BY9 SIN 9.23077
32 4NS0 PIO 9.77444
33 1WTC ACP 9.90712
34 4EKV BTN 10.6918
35 4DC2 ADE 10.7143
36 3BY8 MLT 12.6761
37 1WHT BZS 14.3791
38 3KDM TES 16
39 1JXN MFU 19.0083
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