Receptor
PDB id Resolution Class Description Source Keywords
4P7X 1.3 Å EC: 1.14.11.- L-PIPECOLIC ACID-BOUND L-PROLINE CIS-4-HYDROXYLASE RHIZOBIUM LOTI HYDROXYLASE PROLINE OXIDOREDUCTASE
Ref.: REFINED REGIO- AND STEREOSELECTIVE HYDROXYLATION OF L-PIPECOLIC ACID BY PROTEIN ENGINEERING OF L-PROLIN CIS-4-HYDROXYLASE BASED ON THE X-RAY CRYSTAL STRUCT ACS SYNTH BIOL V. 4 383 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:305;
A:304;
A:307;
A:306;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
YCP A:303;
Valid;
none;
submit data
129.157 C6 H11 N O2 C1CCN...
AKG A:302;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
CXS A:309;
A:308;
Invalid;
Invalid;
none;
none;
submit data
221.317 C9 H19 N O3 S C1CCC...
CO A:301;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P7X 1.3 Å EC: 1.14.11.- L-PIPECOLIC ACID-BOUND L-PROLINE CIS-4-HYDROXYLASE RHIZOBIUM LOTI HYDROXYLASE PROLINE OXIDOREDUCTASE
Ref.: REFINED REGIO- AND STEREOSELECTIVE HYDROXYLATION OF L-PIPECOLIC ACID BY PROTEIN ENGINEERING OF L-PROLIN CIS-4-HYDROXYLASE BASED ON THE X-RAY CRYSTAL STRUCT ACS SYNTH BIOL V. 4 383 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 4P7X - YCP C6 H11 N O2 C1CCN[C@@H....
2 4P7W - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4P7X - YCP C6 H11 N O2 C1CCN[C@@H....
2 4P7W - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4P7X - YCP C6 H11 N O2 C1CCN[C@@H....
2 4P7W - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YCP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 YCP 1 1
2 PRO 0.769231 0.875
3 LPD 0.4375 0.631579
Ligand no: 2; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P7X; Ligand: YCP; Similar sites found: 131
This union binding pocket(no: 1) in the query (biounit: 4p7x.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.0004122 0.46992 None
2 2BOS GLA GAL 0.0007317 0.45888 None
3 2A4W BLM 0.01158 0.40651 None
4 4CNO 9PY 0.02237 0.40121 None
5 5ML3 DL3 0.0009719 0.46677 1.34228
6 5EOB 5QQ 0.04283 0.40027 1.36986
7 5FQK 6NT 0.02142 0.40265 1.48699
8 5M0T AKG 0.005482 0.42904 1.71233
9 2WBP SIN 0.001268 0.41308 1.71233
10 2WBP ZZU 0.001268 0.41308 1.71233
11 1EPB REA 0.003315 0.41977 1.82927
12 4XAC AKG 0.000009907 0.47103 1.98413
13 3OPT AKG 0.005656 0.43389 2.05479
14 1GQG DCD 0.004298 0.41843 2.05479
15 4BLW AMP 0.01045 0.41877 2.07612
16 3FW3 ETS 0.01432 0.40244 2.25564
17 3KV5 OGA 0.001102 0.47328 2.39726
18 2YNE YNE 0.02509 0.42703 2.39726
19 2YNE NHW 0.02509 0.42703 2.39726
20 1ODM ASV 0.003373 0.42649 2.39726
21 5N87 N66 0.006835 0.42457 2.39726
22 4OEV OXL 0.004356 0.438 2.73973
23 2BNJ XYP XYP AHR FER 0.005293 0.41919 2.73973
24 3UDZ ADP 0.008081 0.40085 2.73973
25 3K3K A8S 0.007522 0.40408 2.8436
26 5EPA AKG 0.00001651 0.47605 2.86738
27 1IIU RTL 0.009434 0.40147 2.87356
28 4QJP V1F 0.0118 0.40189 3.04183
29 5C5T AKG 0.0001007 0.51256 3.07018
30 3PUR 2HG 0.00306 0.44808 3.08219
31 1O6U PLM 0.004095 0.4077 3.08219
32 1J3R 6PG 0.002809 0.43644 3.15789
33 5L9V OGA 0.00002586 0.53398 3.1746
34 5L9B AKG 0.00003532 0.52749 3.1746
35 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.003401 0.43233 3.28467
36 3W21 AKG 0.00002501 0.54951 3.2967
37 5TFZ 7BC 0.004509 0.43138 3.33333
38 4Q0L V14 0.01078 0.40513 3.42205
39 5C3R HMU 0.001282 0.43382 3.42466
40 5C3R AKG 0.001282 0.43382 3.42466
41 2YBP 2HG 0.00614 0.43247 3.42466
42 2OS2 OGA 0.007624 0.4274 3.42466
43 5F3I 5UJ 0.02683 0.4111 3.42466
44 2XXP DSL 0.04861 0.40605 3.42466
45 5DEY 59T 0.03906 0.40156 3.42466
46 2YG2 FLC 0.001321 0.44655 3.48837
47 2YG2 S1P 0.002333 0.43029 3.48837
48 5I0U DCY 0.0005276 0.43206 3.5
49 4MLO PAM 0.002112 0.41467 3.62319
50 2NLR BGC BGC G2F SHG 0.006122 0.41175 3.84615
51 4PSB GA3 0.01091 0.41389 3.87097
52 2CM4 RCL 0.001717 0.43439 4
53 1DMY AZM 0.0167 0.4033 4.03226
54 4M26 ZZU 0.002747 0.43212 4.10959
55 4M26 SIN 0.002747 0.43212 4.10959
56 1ZHX HC3 0.01163 0.40364 4.10959
57 1LRH NLA 0.004553 0.42638 4.29448
58 3SAO NKN 0.000584 0.42453 4.375
59 4J8T DOG 0.008478 0.40922 4.37956
60 2D6M LBT 0.002987 0.43109 4.40252
61 5UQD AKG 0.002849 0.451 4.45205
62 4YRD 3IT 0.01447 0.4 4.45205
63 2RDQ AKG 0.005286 0.41268 4.51389
64 2OG7 SIN 0.0002332 0.40275 4.7619
65 5OO5 UUA 0.0006832 0.45037 4.83871
66 4N1T 2GD 0.0171 0.4036 5.03145
67 2Z77 HE7 0.006924 0.4108 5.03597
68 4N7C AEF 0.02061 0.40192 5.11364
69 4YZC STU 0.0138 0.41129 5.13699
70 4ZXA H8N 0.01271 0.40918 5.13699
71 4OCV NDG 0.01203 0.40608 5.13699
72 4XBT 3ZQ 0.005526 0.40613 5.16129
73 4XBT FLC 0.00925 0.40354 5.16129
74 4J25 OGA 0.00003104 0.5495 5.24017
75 4IAW LIZ 0.01315 0.40423 5.31915
76 3H7J PPY 0.0002132 0.47832 5.34979
77 1GP6 QUE 0.0079 0.41129 5.47945
78 2QB8 ATP 0.01311 0.41074 5.47945
79 1GP6 SIN 0.007617 0.4105 5.47945
80 1GP6 DH2 0.007617 0.4105 5.47945
81 5HV0 AKG 0.0002199 0.45633 5.52995
82 3AIH BMA MAN MAN 0.01003 0.42122 5.64516
83 3PUA OGA 0.0008502 0.40942 5.82192
84 2BOY BHO 0.01207 0.40202 5.90551
85 1A78 TDG 0.01518 0.40886 5.97015
86 2GJ5 VD3 0.007004 0.4263 6.17284
87 4WVW SLT 0.003849 0.43537 6.25
88 4Y3O OGA 0.0002913 0.49641 6.50685
89 4CCK OGA 0.0003041 0.40907 6.50685
90 5BV3 M7G 0.006443 0.40519 6.50685
91 2AG4 LP3 0.03383 0.41065 6.70732
92 2AG4 OLA 0.04677 0.40037 6.70732
93 4XBA GMP 0.008903 0.40823 7
94 4QXB OGA 0.000947 0.41982 7.35294
95 5FLJ QUE 0.004802 0.41453 7.52688
96 5FU3 BGC BGC BGC 0.01005 0.42087 7.54717
97 1OS7 AKG 0.0004741 0.4388 7.77385
98 1OS7 TAU 0.0004741 0.4388 7.77385
99 4JZR 4JR 0.009245 0.41601 7.87037
100 2FCU AKG 0.0009251 0.40179 7.87671
101 4OMJ 2TX 0.006071 0.4246 7.91367
102 1QY1 PRZ 0.004266 0.41682 8.04598
103 3BRN SRO 0.009458 0.42064 8.28025
104 2JIG PD2 0.0001136 0.51 8.48214
105 5I8T LAC 0.000407 0.42253 8.93855
106 1IA7 BGC BGC 0.01515 0.41008 9.24658
107 5CAD PCA 0.02076 0.40424 9.24658
108 4MNS 2AX 0.002107 0.46124 9.43396
109 1GT4 UNA 0.005261 0.41081 9.43396
110 1OIJ AKG 0.000001272 0.62074 9.58904
111 5U98 1KX 0.02837 0.4003 10.101
112 5IQT AKG 0.0002633 0.44764 10.9589
113 3Q8G PEE 0.01497 0.42367 10.9589
114 5IQT 6CU 0.0006008 0.41427 10.9589
115 1M6P M6P 0.01044 0.41804 11.1842
116 3MPB FRU 0.009629 0.40274 11.3821
117 1OGX EQU 0.000532 0.4602 11.4504
118 5LUN OGA 0.00003832 0.54108 11.6438
119 5LUN ARG 0.0004595 0.40991 11.6438
120 2A1X AKG 0.00005366 0.40049 11.6438
121 4GJY OGA 0.001218 0.46754 12.3404
122 1SGJ OAA 0.01042 0.43033 12.6761
123 1DZK PRZ 0.007413 0.40415 13.3758
124 4QM9 CYS 0.0003131 0.49995 13.8728
125 5V1B 8UY 0.002808 0.44691 14.1667
126 5AIG VPR 0.01307 0.40436 14.4
127 3MTX PGT 0.00126 0.45501 15.2318
128 4XCB HY0 0.00005262 0.50997 15.3257
129 4XCB AKG 0.000006117 0.48901 15.3257
130 1KGI T4A 0.008285 0.40729 15.748
131 1YRO UDP 0.01488 0.41719 18.6992
Pocket No.: 2; Query (leader) PDB : 4P7X; Ligand: AKG; Similar sites found: 164
This union binding pocket(no: 2) in the query (biounit: 4p7x.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.0004122 0.46992 None
2 2BOS GLA GAL 0.0007317 0.45888 None
3 4CNO 9PY 0.02237 0.40121 None
4 5ML3 DL3 0.0009719 0.46677 1.34228
5 5EOB 5QQ 0.04283 0.40027 1.36986
6 5FQK 6NT 0.02142 0.40265 1.48699
7 4NAO AKG 0.0007278 0.47121 1.71233
8 5M0T AKG 0.005482 0.42904 1.71233
9 2WBP SIN 0.001268 0.41308 1.71233
10 2WBP ZZU 0.001268 0.41308 1.71233
11 3G6M CFF 0.02207 0.40052 1.71233
12 1EPB REA 0.003315 0.41977 1.82927
13 4XAC AKG 0.000009907 0.47103 1.98413
14 3OPT AKG 0.005656 0.43389 2.05479
15 4M1U A2G MBG 0.006108 0.42181 2.05479
16 3NNF AKG 0.000243 0.41378 2.05479
17 4MZU TYD 0.02126 0.40442 2.05479
18 4BLW AMP 0.01045 0.41877 2.07612
19 3FW3 ETS 0.01432 0.40244 2.25564
20 3KV5 OGA 0.001102 0.47328 2.39726
21 4IGQ OGA 0.002885 0.44606 2.39726
22 2YNE NHW 0.02509 0.42703 2.39726
23 2YNE YNE 0.02509 0.42703 2.39726
24 5N87 N66 0.006835 0.42457 2.39726
25 2ZYF AKG 0.01234 0.4098 2.39726
26 3RDO BTN 0.009122 0.40382 2.61438
27 4OEV OXL 0.004356 0.438 2.73973
28 5EPA AKG 0.00001651 0.47605 2.86738
29 4QJP V1F 0.0118 0.40189 3.04183
30 5C5T AKG 0.0001007 0.51256 3.07018
31 3PUR 2HG 0.00306 0.44808 3.08219
32 2HAW 2PN 0.01002 0.41853 3.08219
33 1O6U PLM 0.004095 0.41567 3.08219
34 4L6H HCS 0.02231 0.40262 3.08219
35 1J3R 6PG 0.002809 0.43644 3.15789
36 5L9V OGA 0.00002586 0.53398 3.1746
37 5L9B AKG 0.00003532 0.52749 3.1746
38 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.003401 0.43233 3.28467
39 3W21 AKG 0.00002501 0.54951 3.2967
40 5TFZ 7BC 0.004509 0.43138 3.33333
41 4Q0L V14 0.01078 0.40513 3.42205
42 5C3R AKG 0.001282 0.43382 3.42466
43 5C3R HMU 0.001282 0.43382 3.42466
44 2YBP 2HG 0.00614 0.43247 3.42466
45 2OS2 OGA 0.007624 0.4274 3.42466
46 4BG1 IVL 0.001513 0.41311 3.42466
47 5F3I 5UJ 0.02683 0.4111 3.42466
48 5DEY 59T 0.03906 0.40156 3.42466
49 2HZQ STR 0.00527 0.43477 3.44828
50 2YG2 S1P 0.00159 0.41711 3.48837
51 5I0U DCY 0.0005276 0.43206 3.5
52 4MLO PAM 0.002112 0.41467 3.62319
53 1AF6 GLC FRU 0.00958 0.42202 3.76712
54 3GM5 CIT 0.01221 0.41273 3.77358
55 2NLR BGC BGC G2F SHG 0.006122 0.41175 3.84615
56 2CM4 RCL 0.001717 0.41045 4
57 1DMY AZM 0.0167 0.4033 4.03226
58 4M26 AKG 0.001543 0.46036 4.10959
59 4M26 SIN 0.002747 0.43212 4.10959
60 1LRH NLA 0.004553 0.42638 4.29448
61 3SAO NKN 0.000584 0.46914 4.375
62 4J8T DOG 0.008478 0.40922 4.37956
63 2D6M LBT 0.002987 0.43109 4.40252
64 5UQD AKG 0.002849 0.451 4.45205
65 4OJ8 AKG 0.001086 0.42501 4.45205
66 2DKD NG1 0.009935 0.41446 4.45205
67 4OJ8 2TQ 0.001853 0.40506 4.45205
68 4YRD 3IT 0.01447 0.4 4.45205
69 1NX4 AKG 0.0001715 0.5097 4.7619
70 2OG7 SIN 0.0002332 0.49417 4.7619
71 1OFZ FUC 0.001979 0.45658 4.79452
72 5OO5 UUA 0.0006832 0.45037 4.83871
73 3H9A PPY 0.008963 0.4214 4.93827
74 2ET1 GLV 0.002164 0.45265 4.97512
75 1EYE PMM 0.01016 0.40554 5
76 4N1T 2GD 0.0171 0.4036 5.03145
77 4N7C AEF 0.02061 0.40192 5.11364
78 4YZC STU 0.0138 0.41129 5.13699
79 4ZXA H8N 0.01271 0.40918 5.13699
80 4OCV NDG 0.01203 0.40608 5.13699
81 4XBT 3ZQ 0.005526 0.40613 5.16129
82 4XBT FLC 0.00925 0.40354 5.16129
83 4J25 OGA 0.00003104 0.5495 5.24017
84 2P7Q GG6 0.01374 0.40751 5.26316
85 4IAW LIZ 0.01315 0.40423 5.31915
86 3H7J PPY 0.0002132 0.47832 5.34979
87 1GP6 QUE 0.0079 0.41129 5.47945
88 2QB8 ATP 0.01311 0.41074 5.47945
89 1GP6 SIN 0.007617 0.4105 5.47945
90 1GP6 DH2 0.007617 0.4105 5.47945
91 5HV0 AKG 0.0002199 0.45633 5.52995
92 3AIH BMA MAN MAN 0.01003 0.42122 5.64516
93 3PUA OGA 0.0008502 0.47339 5.82192
94 2BOY BHO 0.01207 0.40202 5.90551
95 1A78 TDG 0.01518 0.40886 5.97015
96 4CCO OGA 0.0008991 0.4719 6.16438
97 1H2K OGA 0.001039 0.46977 6.16438
98 4B7E OGA 0.001239 0.4673 6.16438
99 2XUM OGA 0.001163 0.4671 6.16438
100 1H2M OGA 0.001195 0.46634 6.16438
101 2WA4 069 0.0009459 0.4538 6.16438
102 3P3N AKG 0.002384 0.44952 6.16438
103 2Y0I AKG 0.003257 0.44499 6.16438
104 4AQL TXC 0.006317 0.40359 6.16438
105 2GJ5 VD3 0.007004 0.4263 6.17284
106 4WVW SLT 0.003849 0.43537 6.25
107 4Y3O OGA 0.0002913 0.49641 6.50685
108 4CCK OGA 0.0003041 0.49466 6.50685
109 4CCN OGA 0.0003353 0.49277 6.50685
110 3KV4 OGA 0.003591 0.44404 6.50685
111 5BV3 M7G 0.006443 0.40519 6.50685
112 4QCK ASD 0.009156 0.40375 6.50685
113 4JH6 FCN 0.01745 0.40236 6.52174
114 4XBA GMP 0.008903 0.40823 7
115 4QXB OGA 0.000947 0.41982 7.35294
116 5FLJ QUE 0.004802 0.41453 7.52688
117 5FU3 BGC BGC BGC 0.01005 0.42087 7.54717
118 1OS7 AKG 0.0004741 0.4388 7.77385
119 1OS7 TAU 0.0004741 0.4388 7.77385
120 4JZR 4JR 0.009245 0.41601 7.87037
121 2FCU AKG 0.0009251 0.47315 7.87671
122 4OMJ 2TX 0.006071 0.4246 7.91367
123 1QY1 PRZ 0.004266 0.41682 8.04598
124 3SCH TB6 0.002314 0.44713 8.08081
125 1ZZ7 S0H 0.005105 0.43379 8.08081
126 3EW2 BTN 0.01805 0.40163 8.14815
127 3BRN SRO 0.009458 0.42064 8.28025
128 2JIG PD2 0.0001136 0.51 8.48214
129 5I8T LAC 0.000407 0.42253 8.93855
130 1IA7 BGC BGC 0.01515 0.41008 9.24658
131 5CAD PCA 0.02076 0.40424 9.24658
132 2AGC DAO 0.0183 0.40134 9.25926
133 4MNS 2AX 0.002107 0.46124 9.43396
134 1GT4 UNA 0.005261 0.41081 9.43396
135 1OIJ AKG 0.000001272 0.62074 9.58904
136 1OIK AKG 0.00006313 0.53049 9.58904
137 1OIK C26 0.0009241 0.44452 9.58904
138 5U98 1KX 0.02837 0.4003 10.101
139 3B99 U51 0.01539 0.40093 10.274
140 5IQT AKG 0.0002633 0.44764 10.9589
141 3Q8G PEE 0.01497 0.42367 10.9589
142 5IQT 6CU 0.0006008 0.41427 10.9589
143 1UA4 GLC 0.01441 0.40648 10.9589
144 1M6P M6P 0.01044 0.41804 11.1842
145 4L4J NAG NAG BMA MAN NAG 0.002941 0.42586 11.3122
146 3MPB FRU 0.009629 0.40274 11.3821
147 1OGX EQU 0.000532 0.4602 11.4504
148 5LUN OGA 0.00003832 0.54108 11.6438
149 2A1X AKG 0.00005366 0.53659 11.6438
150 5LUN ARG 0.0004595 0.40991 11.6438
151 4GJY OGA 0.001218 0.46754 12.3404
152 3CBC DBS 0.0163 0.41625 12.6263
153 1SGJ OAA 0.01042 0.43033 12.6761
154 1DZK PRZ 0.007413 0.40415 13.3758
155 4QM9 CYS 0.0003131 0.49995 13.8728
156 5V1B 8UY 0.002808 0.44691 14.1667
157 5AIG VPR 0.01307 0.40436 14.4
158 3MTX PGT 0.00126 0.45501 15.2318
159 4XCB HY0 0.00005262 0.50997 15.3257
160 4XCB AKG 0.000006117 0.48901 15.3257
161 3I51 45C 0.01135 0.40328 16.2963
162 4B9K TG0 0.01564 0.40472 18.5567
163 1YRO UDP 0.01488 0.41719 18.6992
164 1C1L GAL BGC 0.004462 0.43037 26.2774
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