-->
Receptor
PDB id Resolution Class Description Source Keywords
1N31 2.2 Å EC: 4.4.1.- STRUCTURE OF A CATALYTICALLY INACTIVE MUTANT (K223A) OF C-DE SUBSTRATE (CYSTINE) LINKED TO THE CO-FACTOR SYNECHOCYSTIS SP. PCC 6714 INACTIVE MUTANT SUBSTRATE COMPLEX FE-S CLUSTER SYNTHESIS LIKE LYASE
Ref.: SNAPSHOTS OF THE CYSTINE LYASE "C-DES" DURING CATAL STUDIES IN SOLUTION AND IN THE CRYSTALLINE STATE J.BIOL.CHEM. V. 278 357 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:2003;
A:3003;
Invalid;
Invalid;
none;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
K A:1001;
B:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
PLP CYS A:2001;
B:3001;
Valid;
Valid;
none;
none;
submit data
350.288 n/a SCC([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ELU 1.55 Å EC: 4.4.1.- COMPLEX BETWEEN THE CYSTINE C-S LYASE C-DES AND ITS REACTION CYSTEINE PERSULFIDE. SYNECHOCYSTIS SP. FES CLUSTER BIOSYNTHESIS PYRIDOXAL 5-prime -PHOSPHATE THIOCYSTEIAMINOACRYLATE ENZYME-PRODUCT COMPLEX LYASE
Ref.: CRYSTAL STRUCTURE OF THE CYSTINE C-S LYASE FROM SYNECHOCYSTIS: STABILIZATION OF CYSTEINE PERSULFIDE CLUSTER BIOSYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 97 3856 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N2T - PLP GLY n/a n/a
2 1ELU - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
3 1N31 - PLP CYS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N2T - PLP GLY n/a n/a
2 1ELU - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
3 1N31 - PLP CYS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1N2T - PLP GLY n/a n/a
2 1ELU - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
3 1N31 - PLP CYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP CYS; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP CYS 1 1
2 SEP PLP 0.791045 0.95
3 PLP SEP 0.791045 0.95
4 LEU PLP 0.779412 0.919355
5 GLU PLP 0.757143 0.919355
6 PLP MET 0.736111 0.878788
7 PLP 2TL 0.7 0.918033
8 PLP BH2 0.690141 0.918033
9 ASP PLP 0.518987 0.85
10 PLP SUO 0.516854 0.850746
11 PLP 2KZ 0.512821 0.870968
12 CAN PLP 0.5 0.863636
13 TZA PLP 0.456522 0.890625
14 ACZ PLP 0.456522 0.890625
15 GAB PLP 0.454545 0.857143
16 GBC PLP 0.454545 0.857143
17 C6P 0.439024 0.934426
18 PMP 0.43662 0.836066
19 PLP 999 0.423529 0.746032
20 PXP 0.422535 0.741935
21 GT1 0.410959 0.666667
22 7XF 0.406977 0.904762
23 PPD 0.404762 0.903226
24 PP3 0.402439 0.857143
25 PDA 0.402439 0.857143
26 PDD 0.402439 0.857143
27 IN5 0.4 0.825397
28 PLG 0.4 0.873016
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ELU; Ligand: CSS; Similar sites found with APoc: 124
This union binding pocket(no: 1) in the query (biounit: 1elu.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1FC4 AKB PLP 1.49626
2 4HNN LYS 1.7341
3 4RKC PMP 1.79487
4 6DND PLP 1.79487
5 1UU1 PMP HSA 1.79487
6 5GVL GI8 1.79487
7 5GVL PLG 1.79487
8 3EMZ HXH 1.81269
9 4R5Z SIN 1.90736
10 4R5Z PMP 1.90736
11 5LPB ADP 2.02703
12 2PNC CLU 2.05128
13 1IZC PYR 2.05128
14 2X5D PLP 2.05128
15 5HVJ ANP 2.22222
16 3ROE THM 2.26415
17 5IWQ PLP 2.30769
18 5VEQ PMP 2.30769
19 1AJS PLA 2.30769
20 2FN8 RIP 2.31023
21 6C9B EGV 2.39362
22 6C92 EQJ 2.39362
23 6C8T EQJ 2.39362
24 3B8X G4M 2.5641
25 2OEM 1AE 2.5641
26 2NZ2 ASP 2.5641
27 2PO3 T4K 2.5641
28 5OSW DIU 2.5641
29 5W19 9TD 2.5641
30 1TOI HCI 2.5641
31 5EO8 TFU 2.57235
32 4JE5 PLP 2.82051
33 4JE5 PMP 2.82051
34 1M7Y PPG 2.82051
35 1LC8 33P 3.02198
36 5LNE A2G GAL 3.04878
37 1PMO PLR 3.07692
38 4I9B 1KA 3.07692
39 2YIV NBN 3.07692
40 4K6B GLU 3.10559
41 3CQ5 PMP 3.33333
42 2IMP LAC 3.54906
43 3WGC PLG 3.81232
44 4CZ1 VNJ 3.82775
45 4BA5 PXG 3.84615
46 2R2N PMP 3.84615
47 4M3P HCS 3.84615
48 5JSP DQY 3.9801
49 1ZC9 PMP 4.10256
50 1JS3 PLP 142 4.35897
51 1KKR 2AS 4.35897
52 4ZSY RW2 4.55531
53 1Q19 SSC 4.61538
54 4WOH 4NP 4.81928
55 4WXG 2BO 4.87179
56 2F2U M77 4.87179
57 3F81 STT 4.91803
58 4JGP PYR 5.06912
59 1WYV PLP AOA 5.12821
60 1VBO MAN MAN MAN 5.36913
61 1DFO PLG 5.38462
62 5V8E CIT 5.50162
63 5NXX 3Q7 5.59701
64 6BSW UDP 5.91716
65 4N2R AHR 5.98802
66 3W6G FLC 6.01852
67 3STD MQ0 6.06061
68 4AZJ SEP PLP 6.11111
69 2X5F PLP 6.15385
70 2OGA PGU 6.15385
71 3VP6 HLD 6.15385
72 4D52 GXL 6.34921
73 4D52 GIV 6.34921
74 3W9F I3P 6.53846
75 4B98 PXG 6.66667
76 5TXR PLP 6.66667
77 5ME4 HP4 6.93431
78 1GEX PLP HSA 7.02247
79 4LNL PLG 7.20721
80 4LNL 2BO 7.20721
81 4LNL 2BK 7.20721
82 3NJQ NJQ 7.25389
83 4AVV CD 7.35294
84 4AVV GHE 7.35294
85 1LW4 PLP 7.4928
86 1LW4 TLP 7.4928
87 3PDB PMP 7.73067
88 3PD6 PMP 7.73067
89 3KDM TES 8.25688
90 4QAG F95 8.27068
91 2ZYJ PGU 8.46154
92 3NUB UD0 8.46154
93 2FYF PLP 8.54271
94 4E1O PLP PVH 8.71795
95 4CUB GAL NAG 8.74317
96 3I7V ATP 8.95522
97 1A78 TDG 8.95522
98 2TPL HPP 8.97436
99 1M32 PLP 9.01639
100 1O69 X04 9.48718
101 5X2Z 3LM 9.48718
102 6CZY PMP 9.66851
103 3ZRR PXG 9.89583
104 6EWR PMP 10.0703
105 5TDC NMM ILE PHE SER 10.5263
106 3LN9 FLC 11.5108
107 4K7O EKZ 11.9048
108 5G09 6DF 12.0513
109 4ZAH T5K 12.5641
110 3E9K 3XH 12.5641
111 2ZC0 PMP 13.0769
112 2Z9V PXM 13.8462
113 5U23 TQP 14.1026
114 1U08 PLP 15.285
115 3FRK TQP 15.5496
116 3DR4 G4M 16.1538
117 4RJD TFP 18.1818
118 5W71 PLP 19.7436
119 4URG C2E 19.7605
120 6CD1 PLS 21.5385
121 6CD1 PLG 21.5385
122 4M2K PLP 21.7949
123 4HVK PMP 25.6544
124 5J8Q ALA 35.8974
Pocket No.: 2; Query (leader) PDB : 1ELU; Ligand: PDA; Similar sites found with APoc: 141
This union binding pocket(no: 2) in the query (biounit: 1elu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1FC4 AKB PLP 1.49626
2 1OXO IK2 1.53846
3 6DND PLP 1.79487
4 4RKC PMP 1.79487
5 5GVL PLG 1.79487
6 5GVL GI8 1.79487
7 1UU1 PMP HSA 1.79487
8 2HOX P1T 1.79487
9 3O0Q ADN 1.79487
10 3O0Q GDP 1.79487
11 5DNC ASN 1.79487
12 4R5Z PMP 1.90736
13 4R5Z SIN 1.90736
14 2X5D PLP 2.05128
15 4K2M O1G 2.05128
16 1B9I PXG 2.06186
17 5C2F JTH 2.15827
18 3ROE THM 2.26415
19 5VEQ PMP 2.30769
20 5IWQ PLP 2.30769
21 1AJS PLA 2.30769
22 2FN8 RIP 2.31023
23 6C8T EQJ 2.39362
24 6C92 EQJ 2.39362
25 6C9B EGV 2.39362
26 5MDH MAK 2.4024
27 2PO3 T4K 2.5641
28 3B8X G4M 2.5641
29 5W19 9TD 2.5641
30 1TOI HCI 2.5641
31 5OSW DIU 2.5641
32 5EO8 TFU 2.57235
33 6CBO DOW 2.73349
34 4JE5 PMP 2.82051
35 4JE5 PLP 2.82051
36 1M7Y PPG 2.82051
37 6HKE LMR 2.82051
38 5G0G TSN 2.82051
39 2PEL LBT 2.9661
40 5OKU 0L1 2.99401
41 1LC8 33P 3.02198
42 5LNE A2G GAL 3.04878
43 1PMO PLR 3.07692
44 4I9B 1KA 3.07692
45 4MZU TYD 3.20513
46 3CQ5 PMP 3.33333
47 4D9C PMP 3.33333
48 2HW1 FRU 3.3557
49 2IMP LAC 3.54906
50 4NZF ARB 3.58974
51 1VBR XYS XYP 3.65854
52 5KUT GDP 3.7037
53 3WGC PLG 3.81232
54 2R2N PMP 3.84615
55 5A1S FLC 3.84615
56 4BA5 PXG 3.84615
57 2R2N KYN 3.84615
58 5JSP DQY 3.9801
59 1ZC9 PMP 4.10256
60 2FNU PMP UD1 4.26667
61 1JS3 PLP 142 4.35897
62 4ZSY RW2 4.55531
63 3WIR BGC 4.61538
64 4WOH 4NP 4.81928
65 4WXG 2BO 4.87179
66 3F81 STT 4.91803
67 1WYV PLP AOA 5.12821
68 1DFO PLG 5.38462
69 5V8E CIT 5.50162
70 4FL0 PLP 5.64103
71 3BWN PMP 5.64103
72 3BWN PMP PHE 5.64103
73 1DJ9 KAM 5.98958
74 3STD MQ0 6.06061
75 4AZJ SEP PLP 6.11111
76 2X5F PLP 6.15385
77 2OGA PGU 6.15385
78 3VP6 HLD 6.15385
79 4D52 GIV 6.34921
80 4D52 GXL 6.34921
81 4LAM 5CU 6.38298
82 2XBN PMP 6.41026
83 5TXR PLP 6.66667
84 4B98 PXG 6.66667
85 5K8B PDG 6.92308
86 5ME4 HP4 6.93431
87 5LXT GTP 6.99301
88 1GEX PLP HSA 7.02247
89 5W70 9YM 7.17949
90 4LNL PLG 7.20721
91 4LNL 2BK 7.20721
92 4LNL 2BO 7.20721
93 3NJQ NJQ 7.25389
94 4E3Q PMP 7.39958
95 1LW4 PLP 7.4928
96 1LW4 TLP 7.4928
97 3PDB PMP 7.73067
98 3PD6 PMP 7.73067
99 3EI9 PL6 7.94872
100 4IY7 KOU 8.20513
101 4QAG F95 8.27068
102 2ZYJ PGU 8.46154
103 3NUB UD0 8.46154
104 2FYF PLP 8.54271
105 3I7S PYR 8.56164
106 4E1O PLP PVH 8.71795
107 6F05 GTS 8.83721
108 3VPB GLU 8.92857
109 3I7V ATP 8.95522
110 2WK9 PLG 8.99743
111 1M32 PLP 9.01639
112 1O69 X04 9.48718
113 5X2Z 3LM 9.48718
114 5X30 7XF 9.48718
115 6CZY PMP 9.66851
116 3ZRR PXG 9.89583
117 6EWR PMP 10.0703
118 5E70 RCD 10.5128
119 5TDC NMM ILE PHE SER 10.5263
120 5G09 6DF 12.0513
121 1MDZ DCS 12.3077
122 1MDZ PLP 12.3077
123 4ZAH T5K 12.5641
124 3E9K 3XH 12.5641
125 2ZC0 PMP 13.0769
126 2Z9V PXM 13.8462
127 5U23 TQP 14.1026
128 1U08 PLP 15.285
129 3FRK TQP 15.5496
130 3DR4 G4M 16.1538
131 5ZCO CHD 17.3913
132 2R5E QLP 18.8811
133 2R5C C6P 18.8811
134 5W71 PLP 19.7436
135 5W71 9YM 19.7436
136 6CD1 PLS 21.5385
137 6CD1 PLG 21.5385
138 4M2K PLP 21.7949
139 1VJO PLP 22.0513
140 4HVK PMP 25.6544
141 3A9Y CYS 30
Pocket No.: 3; Query (leader) PDB : 1ELU; Ligand: PDA; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 1elu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4R8L ASP 1.81818
2 3B8I OXL 2.43902
3 2OEM 1AE 2.5641
4 3TUR DGL 4.18118
5 4L9Z OXL 5.01475
6 1UPF URF 7.58929
7 4IY7 0JO 8.20513
8 4IYO 0JO 8.20513
9 1H2M OGA 11.5385
10 5W97 CHD 17.3913
11 5J8Q ALA 35.8974
APoc FAQ
Feedback