Receptor
PDB id Resolution Class Description Source Keywords
5XNA 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A SECRETARY ABUNDANT HEAT SOLUBLE (SAHS FROM RAMAZZOTTIUS VARIEORNATUS (FROM DIMER SAMPLE) RAMAZZOTTIUS VARIEORNATUS SECRETARY ABUNDANT HEAT SOLUBLE PROTEIN RAMAZZOTTIUS VARIEOFATTY ACID BINDING PROTEIN LIPID TRANSPORT
Ref.: STRUCTURAL INSIGHTS INTO A SECRETORY ABUNDANT HEAT-PROTEIN FROM AN ANHYDROBIOTIC TARDIGRADE, RAMAZZOTT VARIEORNATUS FEBS LETT. V. 591 2458 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:203;
B:204;
A:202;
B:201;
B:202;
A:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
EDO A:208;
B:211;
A:207;
B:208;
A:204;
A:205;
B:209;
B:210;
A:210;
A:211;
B:207;
A:209;
A:206;
B:206;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MG B:205;
A:203;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
CL A:212;
B:212;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
ACY B:213;
 Invalid;
 none;
 submit data
60.052 C2 H4 O2 CC(=O...
SHV A:213;
 Valid;
 none;
 submit data
130.185 C7 H14 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XNA 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A SECRETARY ABUNDANT HEAT SOLUBLE (SAHS FROM RAMAZZOTTIUS VARIEORNATUS (FROM DIMER SAMPLE) RAMAZZOTTIUS VARIEORNATUS SECRETARY ABUNDANT HEAT SOLUBLE PROTEIN RAMAZZOTTIUS VARIEOFATTY ACID BINDING PROTEIN LIPID TRANSPORT
Ref.: STRUCTURAL INSIGHTS INTO A SECRETORY ABUNDANT HEAT-PROTEIN FROM AN ANHYDROBIOTIC TARDIGRADE, RAMAZZOTT VARIEORNATUS FEBS LETT. V. 591 2458 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
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 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
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 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SHV; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 SHV 1 1
2 OCA 0.869565 0.952381
3 TDA 0.833333 0.952381
4 11A 0.833333 0.952381
5 DCR 0.833333 0.952381
6 DAO 0.833333 0.952381
7 PLM 0.833333 0.952381
8 F15 0.833333 0.952381
9 KNA 0.833333 0.952381
10 F23 0.833333 0.952381
11 MYR 0.833333 0.952381
12 STE 0.833333 0.952381
13 DKA 0.833333 0.952381
14 6NA 0.782609 0.95
15 PML 0.681818 0.625
16 KTC 0.666667 0.833333
17 LEA 0.652174 0.85
18 AZ1 0.652174 0.6
19 ELA 0.606061 0.909091
20 OLA 0.606061 0.909091
21 VCA 0.606061 0.909091
22 NER 0.606061 0.909091
23 PAM 0.606061 0.909091
24 MYZ 0.529412 0.863636
25 BUA 0.521739 0.7
26 ODD 0.513514 0.869565
27 3LA 0.5 0.76
28 BRC 0.5 0.625
29 EOD 0.487179 0.666667
30 EIC 0.487179 0.869565
31 M12 0.484848 0.826087
32 KAP 0.470588 0.6
33 14V 0.459459 0.703704
34 DNN 0.444444 0.6
35 14U 0.444444 0.666667
36 RCL 0.425532 0.8
37 5UF 0.416667 0.769231
38 HOC 0.411765 0.8
39 HXD 0.405405 0.769231
40 ODT 0.404762 0.73913
41 ACD 0.4 0.869565
42 IKT 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XNA; Ligand: SHV; Similar sites found: 99
This union binding pocket(no: 1) in the query (biounit: 5xna.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZDT PEF 0.003589 0.46225 None
2 4QJR PIZ 0.01021 0.43907 None
3 4OAR 2S0 0.01123 0.42148 None
4 1SR7 MOF 0.02194 0.41841 None
5 2LBD REA 0.01324 0.41654 None
6 2Z77 HE7 0.02027 0.41335 None
7 4BQS ADP 0.04181 0.4037 None
8 4BQS K2Q 0.04181 0.4037 None
9 4J7U YTZ 0.04292 0.41474 1.38889
10 4J7U NAP 0.04292 0.41474 1.38889
11 2R40 EPH 0.01133 0.43869 2.17391
12 3V49 PK0 0.01042 0.42929 2.17391
13 4AZP A9M 0.0000001005 0.70036 2.89855
14 1DTL BEP 0.004397 0.43336 2.89855
15 3KFC 61X 0.02302 0.42518 2.89855
16 1PZG A3D 0.03286 0.42051 2.89855
17 2Q2Y ADP 0.01727 0.44887 3.62319
18 2Q2Y MKR 0.01727 0.44887 3.62319
19 4F7E 0SH 0.027 0.41991 3.62319
20 5EKO N17 0.0353 0.40433 3.62319
21 5D48 L96 0.000002866 0.40082 3.62319
22 3R9C ECL 0.009287 0.42163 4.34783
23 3QM1 ZYC 0.00742 0.41886 4.34783
24 3KDU NKS 0.03896 0.41752 4.34783
25 5EP2 AZU 0.01993 0.409 4.34783
26 5UI2 EQ3 0.03895 0.40857 4.34783
27 3FS1 MYR 0.01413 0.4048 4.34783
28 1O6U PLM 0.03076 0.4011 4.34783
29 1YMT DR9 0.01117 0.44014 5.07246
30 2XCM ADP 0.01192 0.41951 5.07246
31 3ZDS OMD 0.01155 0.40747 5.07246
32 3SVJ 4LI 0.03146 0.40647 5.07246
33 3KJS DQ1 0.04013 0.4115 5.7971
34 2HPS CTZ 0.02447 0.41099 5.7971
35 1FCH TYR GLN SER LYS LEU 0.03322 0.40237 5.7971
36 1YYE 196 0.004335 0.43906 6.52174
37 4J24 EST 0.007414 0.42132 6.52174
38 4J26 EST 0.0123 0.41186 6.52174
39 5KBF CMP 0.01877 0.40743 6.52174
40 5F3I 5UJ 0.01529 0.40296 6.52174
41 1XVB BHL 0.003858 0.47409 7.24638
42 5IR4 ZPE 0.01163 0.44646 7.24638
43 3BQD DAY 0.01003 0.42727 7.24638
44 5BR4 NAD 0.03019 0.40929 7.24638
45 1ZPD CIT 0.0102 0.40471 7.24638
46 3SAO NKN 0.02166 0.40045 7.24638
47 1KQW RTL 0.003481 0.44558 7.46269
48 5CXI 5TW 0.003245 0.4454 7.97101
49 5DX3 EST 0.01019 0.41416 7.97101
50 5DXG EST 0.0162 0.40515 7.97101
51 5HYR EST 0.02222 0.40132 7.97101
52 1Y0G 8PP 0.01801 0.42965 8.69565
53 2YFB SIN 0.007888 0.42724 8.69565
54 3KDJ A8S 0.02334 0.40531 8.69565
55 1FBY REA 0.03415 0.40427 8.69565
56 3H0A 9RA 0.01942 0.4 8.69565
57 4ORM FMN 0.01435 0.45685 10.1449
58 4ORM ORO 0.01435 0.45685 10.1449
59 4ORM 2V6 0.01435 0.45685 10.1449
60 1TCO FK5 0.008886 0.4338 10.1449
61 5AJP UDP 0.01265 0.41007 10.1449
62 4ZOM 4Q3 0.003673 0.45509 10.8696
63 5APK 76E 0.01414 0.41593 10.8696
64 5L2J 6UL 0.03009 0.43669 11.5942
65 5L2J 70E 0.03142 0.43669 11.5942
66 5AR0 GB8 0.01822 0.42152 11.5942
67 5NTW 98N 0.03696 0.40922 11.5942
68 3RGA ILD 0.02583 0.40823 11.5942
69 3WCA FPS 0.03476 0.40523 11.5942
70 5HZ5 65X 0.0000003521 0.42818 11.9403
71 1J78 VDY 0.003218 0.4411 12.3188
72 2GCE SFC 0.02498 0.42511 13.0435
73 2GCE RFC 0.04581 0.40636 13.0435
74 5AG3 3EB 0.006177 0.42122 14.4928
75 3QUZ QUV 0.04899 0.40975 14.4928
76 4QGE 35O 0.02512 0.40115 15.2174
77 4P6X HCY 0.008037 0.43168 15.942
78 2DYR PGV 0.02842 0.41676 16.3265
79 4E5H 0N8 0.0119 0.42789 17.3913
80 5L7G 6QE 0.01198 0.42393 17.3913
81 5UNJ RJW 0.001731 0.45821 22.4638
82 1YOK P6L 0.00625 0.4532 22.4638
83 1YUC EPH 0.006783 0.43324 22.4638
84 1QY1 PRZ 0.01843 0.40935 24.1379
85 2B96 ANN 0.03232 0.40597 24.3902
86 5V13 JH3 0.01442 0.41864 28.2609
87 5BVT PAM 0.0000008637 0.43893 30.597
88 3ET3 ET1 0.007214 0.43169 31.25
89 3WBG 2AN 0.000003554 0.46125 31.8841
90 5HZ9 5M8 0.0000000482 0.42315 32.5926
91 5LJB RTL 0.01148 0.41536 39.2593
92 3OLL EST 0.004906 0.4339 42.1053
93 4QYN RTL 0.0008832 0.48431 42.8571
94 1MDC PLM 0.000006722 0.60344 43.1818
95 5BVS EIC 0.000001168 0.62456 44.697
96 2QM9 TDZ 0.00000007218 0.69713 45.6522
97 1FDQ HXA 0.00000475 0.62177 48.0916
98 1VYF OLA 0.000002576 0.40478 48.1481
99 2FTB OLA 0.0008295 0.50018 49.6
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