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Receptor
PDB id Resolution Class Description Source Keywords
1WHT 2 Å EC: 3.4.16.6 STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SER CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION TRITICUM AESTIVUM SERINE CARBOXYPEPTIDASE
Ref.: STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH SERINE CARBOXYPEPTIDASE II AT 2.0-A RESOLUTION. BIOCHEMISTRY V. 33 11127 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BZS A:430;
Valid;
none;
Ki = 0.2 mM
208.211 C11 H12 O4 c1ccc...
FUC NAG NDG A:1132;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NAG A:1131;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:2911;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WHT 2 Å EC: 3.4.16.6 STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SER CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION TRITICUM AESTIVUM SERINE CARBOXYPEPTIDASE
Ref.: STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH SERINE CARBOXYPEPTIDASE II AT 2.0-A RESOLUTION. BIOCHEMISTRY V. 33 11127 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GXS - DKA C10 H20 O2 CCCCCCCCCC....
2 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GXS - DKA C10 H20 O2 CCCCCCCCCC....
2 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BZS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BZS 1 1
2 HF2 0.512195 0.727273
3 HFA 0.512195 0.727273
4 PAC 0.425 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WHT; Ligand: BZS; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 1wht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2AUY NAG MAN MMA 1.96078
2 1Q8O MAN MMA 1.96078
3 2AR6 NAG MAN 1.96078
4 1SG4 CO8 2.61438
5 2RHW C0E 3.26797
6 4C2G ALA ALA ALA ALA 3.26797
7 4G9E C4L 3.26797
8 4LXH C1E 3.92157
9 1P7L ANP 3.92157
10 1P7L SAM 3.92157
11 1P7L PPK 3.92157
12 5YAS FAC 3.92157
13 3T5M AMP 3.92157
14 5JCA FAD 4.29688
15 4E93 GUI 4.29688
16 3TLC 7MD 4.57516
17 4IZC 1GZ 4.57516
18 4JUI EGR 4.57516
19 1JXZ BCA 4.57516
20 1NZY BCA 4.57516
21 3OII SAH 4.57516
22 1NJJ ORX 4.57516
23 5CXX FER 4.57516
24 5AHM IMP 4.57516
25 4QXB OGA 4.57516
26 2PX6 DH9 4.6875
27 3GD4 FAD 5.07812
28 2PLK P3D 5.07812
29 3ZEI AWH 5.07812
30 2ZGY GDP 5.07812
31 1OTH PAO 5.07812
32 2WKW W22 5.22876
33 2H7C COA 5.22876
34 2UUU FAD 5.22876
35 2UUU PL3 5.22876
36 5XWV NDP 5.22876
37 2VAT COA 5.22876
38 4FBL SPD 5.22876
39 3JDW ORN 5.22876
40 4AMV F6R 5.22876
41 5LP1 71H 5.41237
42 4QIJ 1HA 5.46875
43 4D9C PMP 5.85938
44 1P4C FMN 5.85938
45 6BFG FMN 5.85938
46 1JQ3 AAT 5.88235
47 4I4Z 2NE 5.88235
48 5TZO 7V7 5.88235
49 2RHO GDP 6.15385
50 5ZUN 9JX 6.25
51 4I42 1HA 6.25
52 4L80 1VU 6.25
53 3NTD FAD 6.25
54 3M89 GSP 6.25
55 3KEE 30B 6.31579
56 3P8N L4T 6.45161
57 5DUF G7A 6.53595
58 2IHK CSF 6.53595
59 3A76 SPD 6.53595
60 5FJN BE2 6.53595
61 5FJN FAD 6.53595
62 3GE7 AFQ 6.53595
63 2YQS UD1 6.64062
64 4IY7 KOU 6.64062
65 3QFA FAD 6.89655
66 4V1T ADP 7.03125
67 3OJI PYV 7.18954
68 1QM5 GLC GLC GLC PO4 SGC GLC 7.18954
69 4D1J DGJ 7.18954
70 6BQK Z1E 7.18954
71 2VOT NHV 7.18954
72 1XRO LEU 7.42188
73 1IUP ALQ 7.42188
74 4ZZE GLC GLC GLC 7.8125
75 1GPM CIT 7.8125
76 1F5N GNP 7.8125
77 1DMR PGD 7.84314
78 1EU1 MGD 7.84314
79 3A2Q ACA ACA 7.84314
80 1EB9 HBA 7.84314
81 3LF0 ATP 7.89474
82 4ZXF 4S7 8.20312
83 3VC3 C6P 8.20312
84 1GT6 OLA 8.49673
85 4R84 CSF 8.49673
86 1VKF CIT 8.51064
87 1I7L ATP 8.59375
88 5ZRR 9J3 9.15033
89 6AMI TRP 9.15033
90 1PJS SAH 9.375
91 5X1M THG 9.375
92 5X1M DHB 9.375
93 4LOO SB4 9.375
94 4CFS HQD 9.7561
95 5F7R GLC GLC 9.76562
96 2CKM AA7 9.80392
97 4X7G NAP 9.80392
98 4B9Q ATP 9.80392
99 2O4N TPV 10.101
100 5HC0 NPO 10.1562
101 6IKG MET ALA ALA 10.4575
102 3RNM FAD 10.4575
103 2HU5 GLY PHE 11.1111
104 5NN0 92H 11.1111
105 2ZL4 ALA ALA ALA ALA 11.2245
106 2X1L ADN 11.3281
107 5OFI 9TQ 11.4754
108 5XET ME8 11.7647
109 4LNU GDP 11.7647
110 3RYC GDP 11.7647
111 5K5Z ANP 12.1094
112 1TV5 FMN 12.4183
113 2NVK FAD 12.5
114 2VSS ACO 12.5
115 4IV9 FAD 12.8906
116 1RQ2 CIT 12.8906
117 2Z48 A2G 13.0719
118 5AOA PPI 13.0719
119 5JIB OIA 13.0719
120 5NUF NAD 13.0719
121 2Z49 AMG 13.0719
122 2Z48 NGA 13.0719
123 1LLF F23 13.2812
124 2VSU ACO 13.7255
125 4IXH IMP 13.7255
126 3D36 ADP 14.3443
127 2ZYI STE 14.3791
128 5ERG SAM 14.3791
129 5KY3 GFB 14.4531
130 6H39 FGY 15.7658
131 4UHF BUA 16.3399
132 4OUJ LBT 16.3399
133 5K2M ADP 18.3007
134 5GVH FMN 18.3594
135 2WUF KEM 19.6078
136 5UC1 486 20.7207
137 1WM1 PTB 20.915
138 1M5W DXP 21.5686
139 6HKE LMR 22.8758
140 6HKE MLT 22.8758
141 3Q60 ATP 24.183
Pocket No.: 2; Query (leader) PDB : 1WHT; Ligand: BZS; 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: 1wht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WHT; Ligand: BZS; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 1wht.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1UWC FER 3.26797
2 3VEH 0GA 5.22876
3 4NMC FAD 5.46875
4 4BJ8 BTN 5.55556
5 4Q4K FMN 6.72269
6 3SUD SUE 7.18954
7 4B3J COA 7.42188
8 5USZ SKE 10.4575
9 1OX5 1PR 13.0719
10 5ITZ GTP 13.1783
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