Table 7 Binding sites residues extracted from active pocket receptor of 4ZZT, 5HWC, 5LJI, 3T88 during prepared for docking.

From: Gallic acid based green corrosion inhibitor for mild steel in 1 M HCl electrochemical and microbial assessment with theoretical validation

Receptors

Site

Residues

4ZZT

1

1:(THR7 LEU34 ASN37 TRP38 ARG39 TRP40 TYR51 THR52 GLY53 ASP74 GLY75 ALA76 ASP77 THR81 TYR82 SER100 GLN101 LYS102 ASN103 VAL104 GLY105 SER106 ARG107 TYR145 TYR171 ASP173 SER174 GLN175 ASP179 LYS181 PRO194 ALA195 SER196 SER198 ALA199 ASN200 SER201 GLY202 LEU203 GLU212 ASP214 GLU217 ALA224 THR226 HIS228 THR246 TYR247 ARG251 TYR252 PRO258 ASP259 ASP262 ASN264 ARG267 LYS338 PHE341 GLY342 ASP343 THR344 SER369 TRP371 ASP372 ASP373 TYR374 TYR375 TRP380 LEU381 TYR386 PRO387 ARG399 GLU413)

2

1:(ASN49 TRP38 ARG39 TRP40 ASN49 TYR51 THR52 GLY53 GLN101 LYS181 ALA199 ASN200)

5HWC

1

1:(TYR27 PHE37 ASP80 ARG43 PHE47 ARG55 VAL56 ILE57 TRP60 TYR83 PHE88 VAL91 ILE92 PHE100)

2

1:(LYS8 HIS26 TYR27 THR28 VAL41 G LY54 ALA73 GLU101 VAL102 GLU103)

5LJI

1

1:(ASN14 TYR57 THR58 TYR59 GLY60 SER90 GLY91 ASP92 TYR95 GLU97 PHE98 CYS99 LEU125)

2

1:(THR93 PHE98 GLU119 CYS120 VAL121 LYS122 VAL123 ASP124 GLU128 ASP131 ARG134)

3T88

1

1:(VAL44 ARG45 ALA47 PHE48 SER84 GLY85 GLY86 ASP142 GLN88 LYS89 ARG91 TYR97 LEU106 VAL108 LEU109 GLN112 TYR129 ILE131 GLY132 GLY199 GLN154 THR155 GLY156 VAL159 SER161 PHE162 ASP163 GLY164 GLY165 TRP184 GLN189)

2

1:(ARG116 PRO121 HIS138 MET139 MET140 CYS141 ASP142 LEU143 THR144 TYR170 ARG173 ILE174 GLY133 LEU200 VAL201 ASN202 MET221 LEU229 LEU232 LYS233 LEU236 ASN237 CYS240)

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