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benchmarks: 3 Hits

e side chains of lysine, histidine, arginine, and aspartate as well as the cysteine, serine, and tyrosine ani... putational study (e.g., the presence of a neutral aspartate/ neutral histidine dyad instead of a deprotonated aspartate/ protonated histidine pair), the reaction profile should be computed under each of the di

mm:parameters:zinc:hdc_czl: 1 Hits

Zinc atom is bonded to 1 histidine, 1 cysteine, 1 aspartate (monodentate), and to the product (CZL). ### |

mm:parameters:copper_zinc:hhh_cu_h_zn_dhh: 1 Hits

ch the zinc atom is bonded to 3 histidines, and 1 aspartate (monodentate) and the copper atom to 4 histidines

mm:parameters:zinc:hc_d2: 1 Hits

tom is bonded to 1 histidine, 1 cysteine and to 1 aspartate (bidentate). Validation for the binary complex is

mm:parameters:zinc:hdcc: 1 Hits

residues (1 from the peptide inhibitor) and to 1 aspartate (monodentate). ### | **COORDINATION SPHERE**

mm:parameters:manganese:hhe_d2: 1 Hits

dral bonded to two histidines, a glutamate and an aspartate, with angles ranging from 93^o to 131<s

mm:parameters:manganese:hhdhwa: 1 Hits

al bipyramidal geometry with two histidine and an aspartate equatorial ligands and a histidine and water/hydr

mm:parameters:manganese:hhdh_ho: 1 Hits

al bipyramidal geometry with two histidine and an aspartate equatorial ligands and a histidine and water/hydr

mm:parameters:manganese:ed_py2_wawa: 1 Hits

al structures suggest that manganese(II) bonds to aspartate, glutamate and the oxygen from a carbonyl and car

mm:parameters:manganese:hdewawawa: 1 Hits

residues from different subunits: a glutamate, an aspartate and histidine ligands and possibly one to three w

mm:parameters:manganese:denwawawa: 1 Hits

as a manganese(II) atom bonded to a glutamate, an aspartate and an asparagine from the same subunit. ### |

mm:parameters:manganese:dee_so2: 1 Hits

in this enzyme is bonded to the side chains of an aspartate, two glutamates and it is bidentate either to a s

mm:parameters:zinc:hdc: 1 Hits

tom is bonded to 1 histidine, 1 cysteine and to 1 aspartate (bidentate). Validation for the binary complex is

mm:parameters:zinc:hdc_fp: 1 Hits

Zinc atom is bonded to 1 histidine, 1 cysteine, 1 aspartate (monodentate), and to the product. | **Coordin