Receptor
PDB id Resolution Class Description Source Keywords
5BSH 2.1 Å EC: 1.5.1.2 CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA (DELTA)1-PYRROLINE- CARBOXYLATE REDUCTASE (MTP5CR) IN COMPLEX WITH L-PROLINE MEDICAGO TRUNCATULA PROLINE BIOSYNTHESIS DECAMER P5C PLANT PROTEIN OXIDOREDU
Ref.: THE STRUCTURE OF MEDICAGO TRUNCATULA DELTA (1)-PYRROLINE-5-CARBOXYLATE REDUCTASE PROVIDES NEW INTO REGULATION OF PROLINE BIOSYNTHESIS IN PLANTS. FRONT PLANT SCI V. 6 869 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO H:301;
B:301;
J:301;
A:301;
G:301;
C:301;
E:301;
F:301;
I:301;
D:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
115.13 C5 H9 N O2 C1C[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BSH 2.1 Å EC: 1.5.1.2 CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA (DELTA)1-PYRROLINE- CARBOXYLATE REDUCTASE (MTP5CR) IN COMPLEX WITH L-PROLINE MEDICAGO TRUNCATULA PROLINE BIOSYNTHESIS DECAMER P5C PLANT PROTEIN OXIDOREDU
Ref.: THE STRUCTURE OF MEDICAGO TRUNCATULA DELTA (1)-PYRROLINE-5-CARBOXYLATE REDUCTASE PROVIDES NEW INTO REGULATION OF PROLINE BIOSYNTHESIS IN PLANTS. FRONT PLANT SCI V. 6 869 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
5 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5UAV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 5UAU - PRO C5 H9 N O2 C1C[C@H](N....
8 2IZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5UAT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO 1 1
2 YCP 0.769231 0.875
3 LPD 0.571429 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5bsh.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: 205
This union binding pocket(no: 5) in the query (biounit: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FWV SGA MAG FUC 0.01902 0.42999 None
2 1P77 ATR 0.0002951 0.52038 1.10294
3 1D1T NAD 0.001085 0.41616 1.44404
4 2CVZ NDP 0.0003116 0.452 1.80505
5 1VI2 NAD 0.0007777 0.44987 1.80505
6 1NPD NAD 0.0006903 0.44488 1.80505
7 1CER NAD 0.0006608 0.43896 1.80505
8 3OA2 NAD 0.0005964 0.43443 1.80505
9 3CMC NAD 0.006141 0.41522 1.80505
10 1F06 2NP 0.001358 0.40423 1.80505
11 1F06 NDP 0.001358 0.40423 1.80505
12 2HK9 ATR 0.0005051 0.49553 1.81818
13 2HK9 NAP 0.002315 0.41719 1.81818
14 1PZG A3D 0.0002196 0.42082 2.1148
15 1GUZ NAD 0.00003867 0.48032 2.16606
16 1O6Z NAD 0.0001266 0.47537 2.16606
17 1BW9 NAD 0.0002605 0.47027 2.16606
18 5LD5 NAD 0.0003542 0.46063 2.16606
19 1C1X NAD 0.0002207 0.45798 2.16606
20 1ZH8 NAP 0.0002552 0.45201 2.16606
21 5H81 NAP 0.0007662 0.45015 2.16606
22 3V1Y NAD 0.0004809 0.44447 2.16606
23 2DFV NAD 0.0005455 0.43905 2.16606
24 3L4S NAD 0.0002821 0.43768 2.16606
25 1X7D NAD 0.0004918 0.43767 2.16606
26 3UCL NAP 0.002326 0.43368 2.16606
27 3L4S 3PG 0.000323 0.4311 2.16606
28 1BXG NAD 0.0001502 0.42981 2.16606
29 2B4R AES 0.0007086 0.42859 2.16606
30 1LLU NAD 0.0004906 0.42024 2.16606
31 2B4R NAD 0.001041 0.4195 2.16606
32 1X7D ORN 0.000333 0.41498 2.16606
33 3UCL CYH 0.007169 0.41185 2.16606
34 3UCL FAD 0.007169 0.41185 2.16606
35 1E3I CXF 0.0006355 0.40979 2.16606
36 1YP4 ADP 0.0173 0.40336 2.16606
37 1K3T BRZ 0.002198 0.40157 2.16606
38 2GZ3 NAP 0.001893 0.40006 2.16606
39 3ABI NAD 0.00004722 0.47328 2.46575
40 1V59 NAD 0.002472 0.45567 2.52708
41 1GQ2 NAP 0.0006361 0.43335 2.52708
42 1YKF NAP 0.0009436 0.42387 2.52708
43 1EBF NAD 0.0005041 0.40628 2.52708
44 3FWN ATR 0.001865 0.40001 2.52708
45 2DT5 NAD 0.000004333 0.51703 2.8436
46 3OJO NAD 0.00003358 0.50375 2.88809
47 1OMO NAD 0.0000262 0.50368 2.88809
48 5AOG IAC 0.001976 0.48198 2.88809
49 4K91 SIN 0.002204 0.45807 2.88809
50 1YS4 NAP 0.002436 0.42857 2.88809
51 1NVT NAP 0.003028 0.41828 2.88809
52 1X87 NAD 0.005444 0.41057 2.88809
53 2B4G ORO 0.04951 0.40108 2.88809
54 3ORF NAD 0.003547 0.40451 3.18725
55 1LJ8 NAD 0.00002444 0.5144 3.2491
56 1YJQ NAP 0.000005103 0.49583 3.2491
57 1M2W NAD 0.00006239 0.49242 3.2491
58 1WDK NAD 0.0001499 0.47637 3.2491
59 5X20 NAD 0.0002309 0.46082 3.2491
60 1PL6 NAD 0.0007748 0.45373 3.2491
61 3CIF G3H 0.0003007 0.44084 3.2491
62 2O4C NAD 0.0001893 0.44064 3.2491
63 2NAD NAD 0.0008518 0.42398 3.2491
64 4BVA NDP 0.0009569 0.42086 3.2491
65 1PL6 572 0.0009475 0.41833 3.2491
66 4WCX MET 0.01808 0.41783 3.2491
67 3CIF NAD 0.0005683 0.41702 3.2491
68 4BVA T3 0.0002498 0.41505 3.2491
69 1FEC FAD 0.006891 0.40079 3.2491
70 4JK3 NAD 0.0001248 0.46788 3.4749
71 1HYH NAD 0.00009273 0.45875 3.61011
72 3GGO NAI 0.000007917 0.45037 3.61011
73 3GGO ENO 0.000007917 0.45037 3.61011
74 1J49 NAD 0.0003973 0.44125 3.61011
75 4L8V NAP 0.0005752 0.41957 3.61011
76 1HSR BHO 0.0422 0.4083 3.61011
77 1P0F NAP 0.002809 0.40096 3.61011
78 4D79 ATP 0.002523 0.43849 3.62319
79 1NYT NAP 0.00513 0.40602 3.69004
80 1EZ4 NAD 0.000014 0.50584 3.97112
81 3VPH NAD 0.00007178 0.45439 3.97112
82 1CDO NAD 0.0004496 0.44564 3.97112
83 5AOA PPI 0.00444 0.44265 3.97112
84 1X14 NAD 0.003016 0.43875 3.97112
85 3VPH OXM 0.0001271 0.43609 3.97112
86 5DN9 NAD 0.000592 0.42144 3.97112
87 3WMX NAD 0.004199 0.40684 3.97112
88 1ML4 PAL 0.04075 0.40186 3.97112
89 4XB2 HSE 0.0001824 0.44465 4.1791
90 4XB2 NDP 0.0001254 0.42032 4.1791
91 5U5G NAP 0.0001878 0.45382 4.33213
92 1SC6 NAD 0.0006484 0.42439 4.33213
93 5MQ6 NDP 0.007295 0.4052 4.33213
94 4XZ3 COA 0.00007753 0.48844 4.34783
95 2GCG NDP 0.000104 0.46373 4.69314
96 2D2I NAP 0.0004802 0.45506 4.69314
97 3B20 NAD 0.0005377 0.44937 4.69314
98 3GFB NAD 0.0007417 0.43381 4.69314
99 1KEV NDP 0.0003162 0.4271 4.69314
100 4OOE NDP 0.001428 0.42557 4.69314
101 5EXK MET 0.02382 0.41948 4.69314
102 5L53 NAP 0.00534 0.41391 4.69314
103 1OFL NGK GCD 0.02385 0.4126 4.69314
104 5L4S NAP 0.000695 0.4052 4.69314
105 5L4S 6KX 0.000695 0.4052 4.69314
106 5JE8 NAD 0.00001929 0.50464 5.05415
107 5AYV KPL 0.000008918 0.49779 5.05415
108 5AYV NAP 0.000002943 0.47141 5.05415
109 3H8V ATP 0.002184 0.44135 5.05415
110 1QMG APX 0.002133 0.42775 5.05415
111 2VYN NAD 0.001295 0.42143 5.05415
112 5KKA 6V0 0.0008034 0.42097 5.05415
113 4DPL NAP 0.001156 0.42052 5.05415
114 5L95 AMP 0.007828 0.41281 5.05415
115 5VKT NAP 0.00238 0.4086 5.05415
116 4XFR CIT 0.03921 0.40303 5.05415
117 5E4R NAP 0.00005334 0.47493 5.41516
118 4XDZ NDP 0.0001653 0.46672 5.41516
119 3NJ4 NAD 0.00276 0.44994 5.41516
120 4RDH AMP 0.002768 0.44451 5.41516
121 2A92 NAI 0.0002376 0.44043 5.41516
122 3NJ4 AFX 0.00501 0.43869 5.41516
123 4RDI ATP 0.005134 0.42442 5.41516
124 3OBT SLB 0.02162 0.41322 5.41516
125 4UP3 NDP 0.01026 0.40168 5.41516
126 4ZGS NAD 0.0005582 0.40011 5.41516
127 1NVM NAD 0.0001597 0.44992 5.76923
128 1WPQ NAD 0.0002416 0.46763 5.77617
129 4D42 W0I 0.006751 0.40362 5.77617
130 4D42 NAP 0.006751 0.40362 5.77617
131 2VHW NAI 0.00005274 0.4457 6.13718
132 3BRE C2E 0.01868 0.42273 6.13718
133 2IZ1 ATR 0.002965 0.40009 6.13718
134 1U1I NAD 0.001631 0.40209 6.37755
135 1MV8 NAD 0.0000863 0.47428 6.4982
136 1MUU NAD 0.0001331 0.47055 6.4982
137 1CF2 NAP 0.000134 0.43194 6.4982
138 1E5Q NDP 0.001055 0.42486 6.4982
139 1Y1P NMN AMP PO4 0.001998 0.42895 6.85921
140 5T9E NAP 0.00001199 0.50852 7.01107
141 1JAY NAP 0.00004206 0.50427 7.07547
142 1LSS NAD 0.004054 0.42225 7.14286
143 1I36 NAP 0.0000003247 0.59496 7.19697
144 5E5U 1PS 0.01406 0.42706 7.19697
145 2G5C NAD 0.00002688 0.48257 7.22022
146 1WP4 NDP 0.0001324 0.4632 7.22022
147 1DJN ADP 0.003475 0.41881 7.22022
148 1KYQ NAD 0.0001369 0.50118 7.29927
149 2WPF FAD 0.003665 0.43715 7.58123
150 2WPF WPF 0.005348 0.43156 7.58123
151 3NGL NAP 0.008287 0.40863 7.6087
152 5T9F NAP 0.0000312 0.45263 7.74908
153 5T9F TYR 0.00003672 0.44638 7.74908
154 3WV8 ATP 0.0007679 0.45787 7.79817
155 2HJR APR 0.000006626 0.53346 7.94224
156 4D3F NAP 0.00001567 0.52268 7.94224
157 3ICS ADP 0.000207 0.50913 7.94224
158 3ICT ADP 0.0006364 0.48493 7.94224
159 5CAE COA 0.0001269 0.47533 7.94224
160 1ZQ9 SAM 0.002743 0.43684 7.94224
161 5CAE SIN 0.000304 0.43193 7.94224
162 4II2 ATP 0.00505 0.41807 7.94224
163 4RQU NAD 0.001776 0.41612 7.94224
164 4TM3 FAD 0.01129 0.40563 7.94224
165 4AQ0 DMJ 0.0229 0.41927 8.30325
166 5GZ6 NDP 0.0005546 0.46009 8.66426
167 4KQW NAP 0.00006779 0.45071 8.66426
168 5GZ6 7C3 0.0008723 0.44413 8.66426
169 2VT3 ATP 0.00000575 0.58632 8.83721
170 3S5W NAP 0.007567 0.42374 9.02527
171 2YVJ NAI 0.007621 0.41659 9.17431
172 4E5N NAD 0.0006909 0.42615 9.38628
173 2F1K NAP 0.000004791 0.52444 9.74729
174 5KVS NAP 0.00009696 0.48016 9.74729
175 1LDN NAD 0.00008445 0.45337 9.74729
176 5KVS 6XR 0.0005449 0.42289 9.74729
177 3A06 NDP 0.0009435 0.40994 9.74729
178 3A06 FOM 0.001123 0.40042 9.74729
179 1LES GLC FRU 0.02517 0.4222 9.94475
180 2Q0L NAP 0.003343 0.44061 10.1083
181 1O94 ADP 0.003 0.41845 10.1083
182 2Y6Q FAD 0.002818 0.40091 10.1083
183 2PV7 NAD 0.0000009672 0.54711 10.4693
184 2QZZ NAP 0.002773 0.40715 10.4693
185 2QZZ EMF 0.003012 0.40689 10.4693
186 5N2I NAP 0.00001517 0.52849 10.7759
187 4K28 NAD 0.0001748 0.46573 10.7807
188 4JJF FE9 0.0007735 0.43309 10.8303
189 4JJF N2I 0.000872 0.42517 10.8303
190 4J36 1HR 0.001663 0.42191 11.1913
191 4J36 FAD 0.001874 0.40873 11.1913
192 4YCA NDP 0.000005115 0.52331 12.6354
193 1VM6 NAD 0.002707 0.41733 12.7193
194 4XDY NAI 0.0001217 0.46832 13.3574
195 3KB6 NAD 0.0007769 0.43302 13.3574
196 3QV1 NAD 0.001586 0.42678 13.4146
197 2Q46 NAP 0.004109 0.40203 13.4387
198 4CJX NAP 0.002148 0.42142 14.0794
199 2DBZ NAP 0.0002722 0.44759 14.3713
200 1Z82 NDP 0.0001072 0.4668 14.4404
201 2GLX NDP 0.00115 0.4357 14.8014
202 2YYY NAP 0.0002417 0.44958 15.1625
203 2I3G NAP 0.001132 0.41813 15.1625
204 3B6R CRN 0.02492 0.40919 15.8845
205 1LUA NAP 0.001691 0.43889 23.8267
Pocket No.: 6; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5bsh.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5bsh.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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