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Receptor
PDB id Resolution Class Description Source Keywords
1VR0 2.49 Å EC: 3.1.3.71 CRYSTAL STRUCTURE OF PUTATIVE 2-PHOSPHOSULFOLACTATE PHOSPHAT (15026306) FROM CLOSTRIDIUM ACETOBUTYLICUM AT 2.6 A RESOLUT CLOSTRIDIUM ACETOBUTYLICUM 15026306 PUTATIVE 2-PHOSPHOSULFOLACTATE PHOSPHATASE STRUCTGENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTESTRUCTURE INITIATIVE PSI HYDROLASE
Ref.: CRYSTAL STRUCTURE OF 2-PHOSPHOSULFOLACTATE PHOSPHAT (COMB) FROM CLOSTRIDIUM ACETOBUTYLICUM AT 2.6 A RES REVEALS A NEW FOLD WITH A NOVEL ACTIVE SITE. PROTEINS V. 65 771 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3SL A:300;
B:300;
C:300;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
170.141 C3 H6 O6 S C([C@...
MG A:400;
B:400;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VR0 2.49 Å EC: 3.1.3.71 CRYSTAL STRUCTURE OF PUTATIVE 2-PHOSPHOSULFOLACTATE PHOSPHAT (15026306) FROM CLOSTRIDIUM ACETOBUTYLICUM AT 2.6 A RESOLUT CLOSTRIDIUM ACETOBUTYLICUM 15026306 PUTATIVE 2-PHOSPHOSULFOLACTATE PHOSPHATASE STRUCTGENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTESTRUCTURE INITIATIVE PSI HYDROLASE
Ref.: CRYSTAL STRUCTURE OF 2-PHOSPHOSULFOLACTATE PHOSPHAT (COMB) FROM CLOSTRIDIUM ACETOBUTYLICUM AT 2.6 A RES REVEALS A NEW FOLD WITH A NOVEL ACTIVE SITE. PROTEINS V. 65 771 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1VR0 - 3SL C3 H6 O6 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 1 families.
1 1VR0 - 3SL C3 H6 O6 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 1 families.
1 1VR0 - 3SL C3 H6 O6 S C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3SL; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3SL 1 1
2 OCS 0.518519 0.744681
3 X1S 0.407407 0.846154
4 SAT 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VR0; Ligand: 3SL; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 1vr0.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5N1X 8HH None
2 4WG0 CHD None
3 1UO5 PIH None
4 4V1F BQ1 None
5 3RET PYR None
6 3RET SAL None
7 3O01 DXC 1.21457
8 4R38 RBF 1.42857
9 5ICE 2H4 1.61943
10 6CB2 OLC 2.02429
11 2P8U COA 2.02429
12 4Q0A 4OA 2.02429
13 2QV6 GTP 2.02429
14 3RV5 DXC 2.24719
15 4YAG NAI 2.42915
16 2WYA HMG 2.42915
17 2C0U FAD NBT 2.42915
18 4QWT ACD 2.58621
19 1JQ3 AAT 2.83401
20 2GCE SFC 2.83401
21 2GCE RFC 2.83401
22 6G1P CIT 2.83401
23 3KMZ EQO 2.83401
24 4QTB 38Z 2.83401
25 1GA8 UPF 2.83401
26 1GA8 DEL 2.83401
27 1DTL BEP 3.10559
28 1FFU CDP 3.13589
29 3GKJ HC3 3.23887
30 1GQ2 NAP 3.23887
31 5HWO HMG 3.33333
32 5MGZ SAH 3.38983
33 1T32 OHH 3.57143
34 3LN0 52B 3.64372
35 2YFB SIN 3.64372
36 1F6D UDP 3.64372
37 2Q8G AZX 3.64372
38 3TUR DGL 3.64372
39 1M13 HYF 4.11392
40 5OCA 9QZ 4.20168
41 4B2Z P5S 4.45344
42 5TO8 7FM 4.45344
43 3KP6 SAL 4.63576
44 5EY0 ILE 4.74453
45 1COY FAD 4.8583
46 3ZGJ RMN 4.8583
47 1HSK FAD 4.8583
48 5CSD ACD 5.03145
49 5NM7 GLY 5.26316
50 3RDE OYP 5.26316
51 3L9R L9R 5.26316
52 4O4Z N2O 5.84416
53 1NVM NAD 6.08696
54 4WUJ FMN 6.12245
55 2RGO FAD 6.47773
56 1BUC CAA 6.47773
57 3HRD NIO 6.875
58 4WEY EG6 6.87831
59 2I7C AAT 6.88259
60 4G86 BNT 6.88259
61 3RUU 37G 6.9869
62 6GMN F4E 7.2165
63 2PT9 S4M 7.28745
64 1LLF F23 7.28745
65 2PT9 2MH 7.28745
66 1H0A I3P 7.59494
67 2UW1 GVM 7.69231
68 1T3Q MCN 8.33333
69 4GCZ FMN 8.50202
70 5W7U GY8 8.62944
71 4RW3 PLM 8.90688
72 1RP7 TZD 8.90688
73 3WN0 FUB 8.90688
74 5CX8 TG6 9.31174
75 6FS0 E4W 10.0629
76 1L0I PSR 10.2564
77 4YMU ARG 10.4545
78 2VWA PTY 10.8911
79 5DLY 5D7 10.9312
80 5DLY SAH 10.9312
81 5SVV FMN 10.9489
82 2WCJ M21 11.3475
83 4KBY C2E 11.5942
84 3T50 FMN 12.5
85 5J32 IPM 12.9555
86 4BVM VCA 15.7895
87 4H6Q TFB 16.5992
88 2PR5 FMN 17.4242
89 1N9L FMN 22.0183
90 1WAP TRP 22.6667
91 1QAW TRP 22.973
92 3ZZS TRP 26.1538
93 3ZZQ TRP 26.1538
Pocket No.: 2; Query (leader) PDB : 1VR0; Ligand: 3SL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1vr0.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VR0; Ligand: 3SL; Similar sites found with APoc: 54
This union binding pocket(no: 3) in the query (biounit: 1vr0.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3FSM 2NC 0.985222
2 4F7E 0SH 1.21457
3 2P3B 3TL 2.0202
4 6C1R EFD 2.1327
5 4UBS DIF 2.29008
6 3GST GPR 2.30415
7 3ND6 ATP 2.33918
8 2WSB NAD 2.83401
9 4C2V YJA 2.83401
10 3EYK EYK 2.90698
11 4GA6 AMP 3.23887
12 2WKQ FMN 3.23887
13 2LBD REA 3.23887
14 1G42 CP2 3.64372
15 4MRP GSH 3.64372
16 3U3U EAH 3.86266
17 1V59 FAD 4.04858
18 4O4K 2PK 4.04858
19 6BR8 PGV 4.04858
20 2NTK IMP 4.05405
21 4KGM ATP 4.08163
22 6CIB ADP 4.24403
23 4QOM PYG 4.45344
24 1YMT DR9 4.47154
25 4H07 IPH 4.54545
26 3L41 LYS PRO SEP GLN GLU LEU 4.54545
27 1YP0 PEF 4.60251
28 3VYW SAM 4.8583
29 6AYI C3G 5.02513
30 2A06 SMA 5.12821
31 3L9R L9Q 5.26316
32 1OW4 2AN 5.42636
33 1S20 TLA 5.66802
34 5HJM MTA 6.47773
35 1LOX RS7 6.47773
36 4FAJ LEU VAL THR LEU VAL PHE VAL 6.88259
37 4NES UDP 6.88259
38 5M58 SAH 6.95652
39 4WO4 JLS 7.34694
40 3IPQ 965 7.42049
41 6GG9 FMN 8.64198
42 2OBD PCW 8.90688
43 4RW3 TDA 8.90688
44 5IF4 6AK 9.43396
45 2QZT PLM 10.8108
46 5EFW FMN 11.7241
47 5DJU FMN 11.7241
48 1U2Z SAH 13.7652
49 4EES FMN 13.913
50 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 13.9241
51 5N87 N66 14.0575
52 5DJT FMN 14.7541
53 2Z6D FMN 15.3846
54 2F5Z FAD 17.1875
Pocket No.: 4; Query (leader) PDB : 1VR0; Ligand: 3SL; Similar sites found with APoc: 32
This union binding pocket(no: 4) in the query (biounit: 1vr0.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1YOK P6L None
2 1ZDU P3A None
3 5ENZ UDP 0.809717
4 4O48 ASP 2.42915
5 2R4J 13P 2.83401
6 2R4J FAD 2.83401
7 3QTP 2PG 2.83401
8 4WGF HX2 2.92683
9 1T0S BML 3.23887
10 6BYF CIT 3.52941
11 3NHT U46 3.64372
12 3C3N FMN 3.64372
13 4PVR ASP 3.64372
14 1UDY CS8 4.04858
15 4V1T ADP 4.04858
16 2ZXI FAD 4.45344
17 1XPK CAA 4.45344
18 1XPK HMG 4.45344
19 1XPM HMG 4.45344
20 3EKK GS2 4.8583
21 2RH1 CAU 4.8583
22 2FP2 TSA 5.42169
23 3CLH NAD 5.66802
24 3COW 52H 6.47773
25 4GV4 MEJ 6.47773
26 3IS2 FAD 6.49351
27 3BXF 13P 6.66667
28 3D72 FAD 6.71141
29 3R9V DXC 8.50202
30 1ZEI CRS 9.43396
31 1JAY F42 9.90566
32 4ITU NAI 11.336
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