Receptor
PDB id Resolution Class Description Source Keywords
2B6N 1.8 Å EC: 3.4.21.- THE 1.8 A CRYSTAL STRUCTURE OF A PROTEINASE K LIKE ENZYME FR PSYCHROTROPH SERRATIA SPECIES SERRATIA SP. S BINDING SUBSTRATE SPECIFICITY PROTEINASE K SUBTILASE PSYCHROTROPHIC PSYCHROPHILIC HYDROLASE
Ref.: THE 1.8 A CRYSTAL STRUCTURE OF A PROTEINASE K-LIKE FROM A PSYCHROTROPH SERRATIA SPECIES FEBS J. V. 273 61 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PRO THR B:1;
Valid;
none;
submit data
287.316 n/a O=C([...
CA A:300;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SO4 A:301;
A:302;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B6N 1.8 Å EC: 3.4.21.- THE 1.8 A CRYSTAL STRUCTURE OF A PROTEINASE K LIKE ENZYME FR PSYCHROTROPH SERRATIA SPECIES SERRATIA SP. S BINDING SUBSTRATE SPECIFICITY PROTEINASE K SUBTILASE PSYCHROTROPHIC PSYCHROPHILIC HYDROLASE
Ref.: THE 1.8 A CRYSTAL STRUCTURE OF A PROTEINASE K-LIKE FROM A PSYCHROTROPH SERRATIA SPECIES FEBS J. V. 273 61 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2B6N - ALA PRO THR n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2B6N - ALA PRO THR n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2B6N - ALA PRO THR n/a n/a
2 1PJ8 - PRO ALA PRO PHE PRO ALA NH2 n/a n/a
3 1P7W - PRO ALA PRO PHE ALA SER ALA n/a n/a
4 1PFG - ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 n/a n/a
5 1OYO - 3ID C8 H7 N O2 c1c[nH]c2c....
6 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
7 1SUA - ALA LEU ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA PRO THR; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO THR 1 1
2 ALA PRO 0.54717 0.795918
3 ILE PRO ILE 0.545455 0.826923
4 ALA VAL PRO ILE 0.521127 0.830189
5 ALA VAL PRO ALA 0.514706 0.88
6 SER VAL PRO ILE 0.486842 0.807018
7 ACE ALA PRO ALA 0.462687 0.897959
8 ASP SER THR THR PRO ALA PRO THR 0.45 0.888889
9 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.443299 0.790323
10 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.43956 0.813559
11 ALA VAL PRO ILE ALA GLN LYS 0.434211 0.792453
12 LYS PRO LYS 0.432432 0.788462
13 ALA THR PRO PHE GLN GLU 0.428571 0.87037
14 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.428571 0.818182
15 ALA PRO ASP THR ARG PRO 0.424242 0.753846
16 SER THR CYS PRO ALA ALA 0.416667 0.824561
17 LEU PRO GLU THR GLY 0.41573 0.842105
18 ALA PRO PRO ALA 0.409091 0.730769
19 PRO SER TYR SEP PRO THR SEP PRO SER 0.402174 0.71875
20 SER TYR SER PRO THR SEP PRO SER 0.402174 0.707692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B6N; Ligand: ALA PRO THR; Similar sites found: 197
This union binding pocket(no: 1) in the query (biounit: 2b6n.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P3C 3TL 0.004985 0.45863 None
2 1BAI 0Q4 0.02564 0.41526 None
3 3F8K COA 0.02049 0.40979 None
4 3KRR DQX 0.03245 0.41105 1.43885
5 1YZX GSF 0.03332 0.40046 1.76991
6 4MFL MFK 0.01998 0.41623 1.79856
7 1SKQ GDP 0.02599 0.40045 1.79856
8 5GM9 CBK 0.02408 0.40016 1.87793
9 1YRB GDP 0.01906 0.4057 1.9084
10 1TKU 5RP 0.01529 0.40447 1.96078
11 5HRA DAS 0.00674 0.40656 2.12766
12 5BWX 4W4 0.01294 0.44254 2.15827
13 1DLJ NAI 0.01888 0.44041 2.15827
14 1DLJ UGA 0.01888 0.44041 2.15827
15 1EE0 CAA 0.01417 0.42001 2.15827
16 2GZ3 NAP 0.0292 0.4182 2.15827
17 3NRR NAP 0.01649 0.41812 2.15827
18 3HBF MYC 0.04302 0.40265 2.20264
19 5L9O GOP 0.04303 0.40598 2.23881
20 4YLG GDP 0.01912 0.40764 2.31214
21 3L2B B4P 0.02872 0.40191 2.44898
22 2IMF GSH 0.002654 0.46257 2.46305
23 5IGI GMP 0.02755 0.4074 2.51799
24 5IGI ZIT 0.02857 0.4074 2.51799
25 1OS1 PYR 0.03455 0.40696 2.51799
26 1OS1 ATP 0.03302 0.40696 2.51799
27 4OOE NDP 0.02476 0.40598 2.51799
28 5BW4 SAM 0.00334 0.44684 2.62172
29 1UJ5 5RP 0.01725 0.40715 2.64317
30 2QTR NXX 0.02076 0.42943 2.6455
31 3BXF 13P 0.006749 0.42892 2.7451
32 3BXF FBP 0.009625 0.42292 2.7451
33 4AT0 FAD 0.002266 0.47793 2.8777
34 1QPB TPP 0.01861 0.42508 2.8777
35 1QPB PYM 0.01861 0.42508 2.8777
36 1GTE FAD 0.03197 0.41944 2.8777
37 4USQ FAD 0.02462 0.41317 2.8777
38 2PID YSA 0.02706 0.41166 2.8777
39 1IHU ADP 0.01011 0.41161 2.8777
40 1IHU AF3 0.009485 0.41161 2.8777
41 1HSK FAD 0.02963 0.41114 2.8777
42 4JBI NDP 0.04049 0.41061 2.8777
43 5VC5 96M 0.0287 0.40537 2.8777
44 2D3M COA 0.008616 0.40503 2.8777
45 1U70 MTX 0.03731 0.40149 3.22581
46 1U70 NDP 0.03731 0.40149 3.22581
47 1NE7 AGP 0.0001236 0.51554 3.23741
48 5L13 6ZE 0.02275 0.43223 3.23741
49 4ISS TAR 0.003438 0.43212 3.23741
50 4KQR VPP 0.008228 0.41314 3.23741
51 4PU5 ANP 0.022 0.40657 3.23741
52 4WXG 2BO 0.03338 0.40212 3.23741
53 1TIQ COA 0.0204 0.40482 3.33333
54 4P6C RES 0.01467 0.41344 3.36134
55 2BPM 529 0.02951 0.42026 3.39623
56 2E5V FAD 0.005457 0.4555 3.59712
57 2IHU TP9 0.004823 0.4502 3.59712
58 2FXU ATP 0.024 0.43414 3.59712
59 4EDF UPG 0.01862 0.43306 3.59712
60 5WRJ A3P 0.01008 0.42775 3.59712
61 5WRI A3P 0.01084 0.42446 3.59712
62 4I8P NAD 0.04259 0.40679 3.59712
63 2B4R AES 0.02161 0.40352 3.59712
64 3CIF NAD 0.02529 0.4022 3.59712
65 1P31 EPU 0.03659 0.40119 3.59712
66 4PTZ FMN 0.03264 0.40936 3.66492
67 3IA4 NDP 0.0231 0.40646 3.7037
68 1YUM NCN 0.04443 0.4077 3.71901
69 2F59 INI 0.0164 0.40051 3.82166
70 5CMK GLU 0.007496 0.4266 3.861
71 5CMK LY5 0.01205 0.40246 3.861
72 1NQU RDL 0.03667 0.42308 3.8961
73 5J62 FMN 0.03558 0.4031 3.8961
74 5WX3 COA 0.002451 0.45787 3.95683
75 1DJL NAP 0.02315 0.42378 3.95683
76 1NM5 NAD 0.01698 0.42205 3.95683
77 1NM5 NAP 0.01919 0.41581 3.95683
78 4YWV SSN 0.0283 0.40764 3.95683
79 1KDO C 0.014 0.41226 3.96476
80 2QXX TTP 0.02049 0.42704 4.21053
81 2D2I NAP 0.01482 0.40125 4.21053
82 1GAR U89 0.02064 0.41846 4.24528
83 3K9W 4PS 0.03878 0.40807 4.27807
84 1EFV AMP 0.0417 0.40363 4.31373
85 1EFV FAD 0.0417 0.40363 4.31373
86 3AWJ COA 0.004627 0.43072 4.31655
87 3IAE D7K 0.01213 0.42826 4.31655
88 3TKI S25 0.04206 0.42352 4.31655
89 2C94 TSF 0.01169 0.42844 4.375
90 3EXS 5RP 0.004996 0.43281 4.52489
91 4L9Z OXL 0.02803 0.42191 4.67626
92 4L9Z COA 0.02925 0.42191 4.67626
93 2PI8 NAG NAG NAG NAG NAG NAG 0.01164 0.41381 4.67626
94 1V47 ADX 0.01399 0.4111 4.67626
95 4O4K 2PK 0.03744 0.4007 4.67626
96 2Q2V NAD 0.03843 0.40537 4.70588
97 3B1J NAD 0.01122 0.42394 4.71976
98 2BW7 APC 0.002321 0.48658 5.03597
99 2PAV ATP 0.004928 0.45432 5.03597
100 1VJT NAD 0.01959 0.44503 5.03597
101 4OE4 NAD 0.0119 0.4271 5.03597
102 2GKS ADP 0.01219 0.41935 5.03597
103 5JWC FAD 0.01648 0.41042 5.03597
104 3T3C 017 0.003768 0.45808 5.05051
105 3OJF IMJ 0.045 0.40844 5.05837
106 4TWP AXI 0.02073 0.43857 5.16605
107 2DX7 CIT 0.01554 0.41212 5.26316
108 1MVN FMN 0.02018 0.40593 5.26316
109 3SM2 478 0.04846 0.40489 5.30303
110 1EJB INJ 0.02026 0.40345 5.35714
111 4ZNL BEF ADP 0.017 0.40502 5.47445
112 4CNE SAH 0.0206 0.41337 5.61798
113 4M7V RAR 0.02625 0.40041 5.71429
114 4M7V NAP 0.01704 0.40041 5.71429
115 3GDQ ADP 0.01465 0.44048 5.7554
116 1FNN ADP 0.01692 0.41144 5.7554
117 4AF0 IMP 0.01413 0.40502 5.7554
118 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.008035 0.42331 5.95238
119 2FXD DR7 0.02092 0.40578 6.06061
120 2BKX F6R 0.00234 0.42995 6.19835
121 5B48 TDN 0.009175 0.42954 6.47482
122 1Q6O LG6 0.01083 0.41174 6.48148
123 3JUC PCA 0.001928 0.40725 6.53595
124 3LL5 ADP 0.02297 0.42127 6.82731
125 3LL5 IPE 0.02297 0.42127 6.82731
126 1H5S TMP 0.005277 0.44089 6.83453
127 1H5T TYD 0.006073 0.43158 6.83453
128 1H5R THM 0.008386 0.42317 6.83453
129 4JWX 1N4 0.007732 0.41924 6.83453
130 4GYS MLI 0.01753 0.41781 6.83453
131 5IWQ PLP 0.013 0.40898 6.83453
132 4RJK TPP 0.02336 0.40494 6.83453
133 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.003407 0.43993 6.89655
134 1ZCB GDP 0.01941 0.41837 6.90608
135 1LK7 DER 0.004389 0.43368 6.9869
136 4M8X KGQ 0.01117 0.43849 7.07071
137 2XCF BBQ 0.005559 0.42175 7.07071
138 3MWS 017 0.02131 0.40411 7.07071
139 2Q4H AMP 0.01566 0.41263 7.19424
140 4PFT MAB 0.04701 0.40367 7.19424
141 5O4F 8VE 0.001396 0.46015 7.36434
142 1L6O SER LEU LYS LEU MET THR THR VAL 0.01368 0.4096 7.36842
143 4YS0 ADP 0.008115 0.42402 7.55396
144 4JD3 PLM 0.0204 0.41241 7.55396
145 4JD3 COA 0.01916 0.41241 7.55396
146 4R84 CSF 0.01472 0.40204 7.55396
147 2FOJ GLY ALA ARG ALA HIS SER SER 0.02636 0.40093 7.74194
148 1FS5 TLA 0.0007326 0.46634 7.89474
149 3KEE 30B 0.008937 0.414 7.89474
150 4AVB CMP 0.007861 0.43513 7.91367
151 3FWN 6PG 0.009943 0.42334 7.91367
152 4NM5 ADP 0.03191 0.40823 7.91367
153 4YHQ G10 0.01401 0.41587 8.08081
154 3FV1 DYH 0.009572 0.41785 8.20312
155 1TDF NAP 0.007892 0.45157 8.27338
156 1TDF FAD 0.004656 0.45157 8.27338
157 5DEY 59T 0.03355 0.40983 8.27338
158 1PNO NAP 0.005856 0.44377 8.33333
159 4WJT NAG 0.002161 0.44599 8.38323
160 4BUZ OCZ 0.01793 0.40327 8.53659
161 4BUZ OAD 0.01793 0.40327 8.53659
162 4BUZ NAD 0.01561 0.40327 8.53659
163 3WQT ANP 0.03311 0.40069 8.8843
164 1D1G NDP 0.02169 0.40955 8.92857
165 2CSN CKI 0.009633 0.43443 8.99281
166 3CX8 GSP 0.01957 0.42587 8.99281
167 1J0D 5PA 0.03791 0.41323 8.99281
168 2FT0 ACO 0.02192 0.41301 8.99281
169 4MFZ MFK 0.02624 0.40278 8.99281
170 5T2Z 017 0.02705 0.40293 9.09091
171 3FSM 2NC 0.00529 0.44728 9.35961
172 5WB6 9ZM 0.006523 0.4331 9.42623
173 1QJC PNS 0.03478 0.42467 9.49367
174 5HWK BEZ 0.007671 0.40813 9.58333
175 1T9D FAD 0.006529 0.47096 9.71223
176 1T9D 1MM 0.006648 0.47096 9.71223
177 1T9D PYD 0.006529 0.47096 9.71223
178 1T9D P25 0.007545 0.4661 9.71223
179 4KQL 1SG 0.03024 0.42158 9.71223
180 4M0R 644 0.042 0.41234 9.76253
181 1SIV PSI 0.009549 0.4188 10.101
182 1IDA 0PO 0.03435 0.40476 10.101
183 4Q5M ROC 0.01107 0.42633 10.3448
184 1M7G ADX 0.03646 0.42304 10.4265
185 1M7G AV2 0.01002 0.4108 10.4265
186 2HJR APR 0.04801 0.40655 10.7914
187 2V92 ATP 0.03148 0.41782 11.4943
188 1JGT APC 0.02167 0.41729 11.8705
189 1JGT CMA 0.02074 0.41729 11.8705
190 3P8N L4T 0.002409 0.45623 12.2302
191 1NLU IVA PHI TYB 0.0007464 0.48905 14.0288
192 4NWK 2R8 0.005243 0.43168 15.5251
193 3SUD SUE 0.004835 0.43683 16.7488
194 2P3B 3TL 0.0181 0.41263 17.1717
195 1Q19 SSC 0.01334 0.40125 17.9856
196 3S43 478 0.007602 0.42877 18.1818
197 4RYD 2UE ARG TBG ARG 00S 0.01934 0.43565 42.446
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