Receptor
PDB id Resolution Class Description Source Keywords
2OVD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN COMPLEMENT PROTEIN C8GAMMA WITH LAURATE HOMO SAPIENS LIPOCALIN; BETA BARREL TRANSPORT PROTEINLIGAND BINDING PROTEIN
Ref.: STRUCTURAL FEATURES OF THE LIGAND BINDING SITE ON HUMAN COMPLEMENT PROTEIN C8GAMMA: A MEMBER OF THE LIPOCALIN FAMILY BIOCHIM.BIOPHYS.ACTA V.1774 637 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DAO A:190;
Valid;
none;
submit data
200.318 C12 H24 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OVD 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN COMPLEMENT PROTEIN C8GAMMA WITH LAURATE HOMO SAPIENS LIPOCALIN; BETA BARREL TRANSPORT PROTEINLIGAND BINDING PROTEIN
Ref.: STRUCTURAL FEATURES OF THE LIGAND BINDING SITE ON HUMAN COMPLEMENT PROTEIN C8GAMMA: A MEMBER OF THE LIPOCALIN FAMILY BIOCHIM.BIOPHYS.ACTA V.1774 637 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2OVD - DAO C12 H24 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 1068 families.
1 2OVD - DAO C12 H24 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 922 families.
1 2OVD - DAO C12 H24 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAO; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OVD; Ligand: DAO; Similar sites found: 199
This union binding pocket(no: 1) in the query (biounit: 2ovd.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GJ5 VD3 0.0001315 0.5472 None
2 1FDQ HXA 0.0001183 0.53934 None
3 4QYN RTL 0.002479 0.46033 None
4 4ZSI 4R1 0.004507 0.4377 None
5 5C03 AGS 0.01155 0.41834 None
6 4QAC KK3 0.0231 0.41264 None
7 3SLS ANP 0.01969 0.41151 None
8 4XBT 3ZQ 0.01271 0.40884 None
9 4XBT FLC 0.01697 0.40833 None
10 1MDC PLM 0.03023 0.40208 None
11 4AZP A9M 0.00004661 0.5524 1.44928
12 3VHH VHH 0.01861 0.44532 1.62602
13 5W10 CMP 0.02362 0.40442 1.64835
14 1GP6 DH2 0.03268 0.40433 1.64835
15 1GP6 SIN 0.03268 0.40433 1.64835
16 3PFG TLO 0.007407 0.45666 2.1978
17 1JJE BYS 0.005573 0.4386 2.1978
18 5DRB 5FJ 0.02737 0.42675 2.1978
19 3OJI PYV 0.01573 0.41553 2.1978
20 2FB3 GTP 0.0264 0.41386 2.1978
21 4XCB HY0 0.03322 0.40404 2.1978
22 2QZ3 XYP XYP XYP 0.007754 0.43188 2.74725
23 1UNB PN1 0.01391 0.4304 2.74725
24 1UNB AKG 0.01249 0.4304 2.74725
25 4H6B 10Y 0.00473 0.42867 2.74725
26 5DQ8 FLF 0.01668 0.42557 2.74725
27 2GQS C2R 0.007844 0.42268 2.74725
28 2ZYI STE 0.01711 0.41859 2.74725
29 4COQ SAN 0.00523 0.41807 2.74725
30 5W0N UPU 0.00597 0.4178 2.74725
31 1ZAP A70 0.02431 0.41567 2.74725
32 2IUW AKG 0.008147 0.4129 2.74725
33 2GQS ADP 0.01376 0.41218 2.74725
34 2EG5 XTS 0.01358 0.40869 2.74725
35 1KRR ACO 0.03268 0.40685 2.74725
36 2GQR ADP 0.01793 0.40662 2.74725
37 4H6B 10X 0.01452 0.40211 2.74725
38 2E56 MYR 0.005246 0.45352 2.77778
39 4PSB GA3 0.006775 0.44829 3.22581
40 4OCT AKG 0.0007932 0.46823 3.2967
41 3FW9 SLX 0.00374 0.44549 3.2967
42 2JLD AG1 0.009794 0.43741 3.2967
43 1T27 PCW 0.01823 0.43388 3.2967
44 5IH9 6BF 0.01758 0.42954 3.2967
45 1Y0G 8PP 0.02823 0.42325 3.2967
46 4BFM ANP 0.01527 0.41635 3.2967
47 2QS8 MET 0.009844 0.41048 3.2967
48 4X5S AZM 0.004647 0.41 3.2967
49 3F7Z 34O 0.01716 0.4095 3.2967
50 1HG4 LPP 0.02881 0.40943 3.2967
51 3ZKK XYP XYP XYP XYP 0.04232 0.40786 3.2967
52 4ANW O92 0.03961 0.40539 3.2967
53 4O1P ANP 0.01913 0.40519 3.2967
54 2WBP ZZU 0.02895 0.40296 3.2967
55 2WBP SIN 0.02895 0.40296 3.2967
56 2X32 OTP 0.04705 0.41523 3.35196
57 5ML3 DL3 0.0007529 0.50644 3.3557
58 1WUB OTP 0.005619 0.46342 3.37079
59 2Z77 HE7 0.0176 0.41221 3.59712
60 2ZPT A3P 0.03461 0.42671 3.84615
61 4KS7 X4Z 0.01674 0.41751 3.84615
62 4RGQ 13P 0.03772 0.41356 3.84615
63 4QDC ASD 0.01401 0.41119 3.84615
64 2X4Z X4Z 0.04104 0.40904 3.84615
65 5CEO 50D 0.02051 0.40572 3.84615
66 3P8N L4T 0.03568 0.40051 3.84615
67 3KMW ATP 0.01083 0.41719 3.87597
68 3E2M E2M 0.002316 0.46469 4.3956
69 2ZMF CMP 0.004037 0.44405 4.3956
70 2DIO EOD 0.003432 0.44067 4.3956
71 3G6K POP 0.01271 0.43533 4.3956
72 3G6K FAD 0.01271 0.43533 4.3956
73 2CSN CKI 0.009754 0.43324 4.3956
74 1DRY AAG 0.01273 0.42921 4.3956
75 1DRY AKG 0.01273 0.42921 4.3956
76 5U6C 7YS 0.01239 0.42249 4.3956
77 4G7A AZM 0.004731 0.41909 4.3956
78 3GC0 AMP 0.01133 0.41364 4.3956
79 4CYI ATP 0.02111 0.40926 4.3956
80 4QCK ASD 0.01456 0.40877 4.3956
81 3DAK ANP 0.01506 0.40841 4.3956
82 3AMN CBK 0.03693 0.40237 4.3956
83 3AMN CBI 0.03693 0.40237 4.3956
84 3GC8 B45 0.03134 0.40121 4.3956
85 3KRL KRL 0.03231 0.40069 4.3956
86 2P7Q GG6 0.01341 0.40171 4.51128
87 1Y52 BTN 0.04726 0.41128 4.7619
88 3JRS A8S 0.00849 0.42978 4.94506
89 1CKM GTP 0.009298 0.42591 4.94506
90 4JR7 GNP 0.01027 0.42121 4.94506
91 4OKZ 3E9 0.0157 0.41808 4.94506
92 4NPL AKG 0.007751 0.40946 4.94506
93 2JIG PD2 0.01146 0.40656 4.94506
94 4QJP V1F 0.03698 0.40005 4.94506
95 3N0Y APC 0.01459 0.42123 5.02793
96 4GGZ BTN 0.01335 0.4068 5.21739
97 3STD MQ0 0.00321 0.45767 5.45455
98 5EFQ ADP 0.008875 0.42507 5.49451
99 3DLS ADP 0.01012 0.41721 5.49451
100 4LA7 A1O 0.03547 0.40132 5.49451
101 1W2D 4IP 0.04403 0.40063 5.49451
102 3VQ2 LP4 LP5 MYR DAO 0.008912 0.45406 5.55556
103 3WSJ MK1 0.03092 0.41248 6.03448
104 1K3A ACP 0.004223 0.43517 6.04396
105 4NST ADP 0.01002 0.42193 6.04396
106 3RGA LSB 0.0112 0.41534 6.04396
107 4YGF AZM 0.01915 0.40796 6.04396
108 4C0C WVH 0.03596 0.40653 6.04396
109 2IFB PLM 0.005485 0.44239 6.10687
110 5FQK 6NT 0.005662 0.41823 6.3197
111 2C49 ADN 0.005819 0.43369 6.59341
112 1URX AAL GAL AAL GLA 0.009459 0.41883 6.59341
113 4WO4 JLS 0.04131 0.41453 6.59341
114 4L9I 8PR 0.02239 0.40172 6.59341
115 2R5V HHH 0.01795 0.40065 6.59341
116 5LJB RTL 0.006156 0.43573 6.66667
117 3KDJ A8S 0.006974 0.43228 7.14286
118 1J3R 6PG 0.009926 0.41248 7.14286
119 1LN1 DLP 0.04624 0.40415 7.14286
120 2EV1 OLA 0.03455 0.40027 7.14286
121 4JH6 FCN 0.005539 0.40174 7.24638
122 5OO5 UUA 0.003896 0.4401 7.25806
123 1GT4 UNA 0.007935 0.42285 7.54717
124 3GM5 CIT 0.005483 0.40675 7.54717
125 4N9I PCG 0.02863 0.42768 7.69231
126 4H3P ANP 0.01429 0.41366 7.69231
127 1ND2 MYR 0.01987 0.40281 7.69231
128 5ISY NAD 0.01985 0.40072 7.69231
129 5HZ9 5M8 0.001428 0.48235 8.14815
130 5BVT PAM 0.02159 0.40734 8.20895
131 1YKD CMP 0.007925 0.42736 8.24176
132 1MH5 HAL 0.01896 0.41712 8.24176
133 5I0U DCY 0.008564 0.41627 8.24176
134 4TUO SIA GAL SIA GLC NGA 0.02524 0.40712 8.24176
135 1O6U PLM 0.01642 0.40617 8.24176
136 1PHK ATP 0.02436 0.40357 8.24176
137 2QM9 TDZ 0.000339 0.50299 8.3871
138 2QO4 CHD 0.03389 0.40607 8.73016
139 1ZHX HC3 0.001344 0.47956 8.79121
140 3RUG DB6 0.005265 0.4692 8.79121
141 3AJH BL3 0.01145 0.42065 8.79121
142 1MEX RAC 0.007445 0.4199 8.79121
143 4N14 WR7 0.01027 0.41898 8.79121
144 3SCM LGN 0.01579 0.44823 9.34066
145 5BYZ 4WE 0.01432 0.43027 9.34066
146 4QDF 30Q 0.007337 0.42558 9.34066
147 5KO1 6UY 0.009463 0.42113 9.34066
148 1OLM VTQ 0.03066 0.40875 9.34066
149 5HX8 66P 0.03195 0.40628 9.34066
150 4ITH RCM 0.02571 0.40599 9.34066
151 1IGJ DGX 0.01102 0.40416 9.34066
152 3CY2 MB9 0.03296 0.40072 9.34066
153 5BVS EIC 0.01362 0.41186 9.84848
154 3G08 FEE 0.006541 0.46859 9.89011
155 4IE6 UN9 0.003333 0.46217 9.89011
156 2Z81 PCJ 0.003461 0.4602 9.89011
157 4WNP 3RJ 0.008954 0.41857 9.89011
158 5FKP 6UL 0.02125 0.41837 9.89011
159 2NNQ T4B 0.0001496 0.54519 9.92366
160 3FW3 ETS 0.008019 0.41673 10.4396
161 4CRL C1I 0.02819 0.4165 10.4396
162 4YZN 4K5 0.02552 0.40734 10.4396
163 3HX3 RET 0.007792 0.428 10.989
164 1U5R ATP 0.008937 0.42281 10.989
165 3UN3 G16 0.01437 0.41801 10.989
166 5TT6 ATP 0.01757 0.41332 10.989
167 2QL9 CIT 0.001002 0.42997 11.3402
168 5USZ SKE 0.01859 0.42 11.5385
169 1Y57 MPZ 0.01957 0.4131 11.5385
170 5D48 L96 0.0001516 0.52963 11.8421
171 3STK PLM 0.005938 0.453 12.8788
172 5FLJ QUE 0.006874 0.43667 13.7363
173 4RFM 3P6 0.04088 0.41837 13.7363
174 5VNF VAL THR SER VAL VAL 0.01483 0.40196 13.7363
175 4LIT AKG 0.01117 0.40329 14.8352
176 3RDO BTN 0.01858 0.40383 15.0327
177 4IPH 1FJ 0.02951 0.40655 15.4472
178 5HQ0 LZ9 0.02323 0.40586 15.4762
179 4Q0L V14 0.01515 0.42109 15.9341
180 5L8L ADP 0.01484 0.40436 15.9341
181 1VYF OLA 0.001042 0.4811 16.2963
182 3POT TXZ 0.04421 0.40889 16.4835
183 3POT COM 0.04421 0.40889 16.4835
184 3POT TP7 0.04452 0.40873 16.4835
185 1C5C TK4 0.01116 0.40193 17.5824
186 4BX7 B4F 0.02806 0.41032 17.9688
187 3PQB VGP 0.02693 0.40456 18.1319
188 4E93 GUI 0.02979 0.41447 19.2308
189 1AUA BOG 0.007192 0.40382 19.7802
190 4RFR RHN 0.01171 0.41977 20.8791
191 4Y93 746 0.01716 0.41992 21.978
192 4O9S 2RY 0.03099 0.40603 28.5714
193 1I06 TZL 0.01197 0.40333 34.4444
194 1QY1 PRZ 0.006211 0.43567 36.2069
195 1EPB REA 0.00000175 0.49501 37.8049
196 1ERB ETR 0.001041 0.48679 38.4615
197 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.004883 0.44704 38.4615
198 3FW4 CAQ 0.0001752 0.52387 38.764
199 3SAO NKN 0.00000551 0.57512 39.375
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