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. Author manuscript; available in PMC: 2021 Nov 26.
Published in final edited form as: Biochemistry. 2017 Apr 17;56(17):2282–2293. doi: 10.1021/acs.biochem.7b00034

Table 2.

PISA analysis of the salt-bridge and H-bonding interactions between the residues in the interface of P450 11B1 R366K and Adx

P450 11B1 Residue (Atom) Adx Residue (Atom) Distance (Å)
Hydrogen Bonds
1 ASN 437 (HD21) LEU 50 (O) 2.01
2 ASN 152 (HD22) GLU 65 (O) 1.83
3 GLN 449 (HE22) ILE 70 (O) 2.30
4 ARG 453 (HHEE) ASP 72 (OD1) 1.64
5 GLY 443 (N) ASP 72 (OD2) 2.75
6 PHE 438 (N) GLU 73 (OE1) 2.89
7 ARG 436 (HH11) GLU 73 (OE1) 1.61
8 ARG 436 (HH22) GLU 73 (OE2) 1.65
9 LYS 370 (HZ2) ASP 76 (OD1) 1.56
10 ARG 436 (HE) ASP 76(OD2) 1.61
11 ARG 436 (HH21) ASP 76 (OD2) 2.40
12 LYS 366 (HZ3) ASP 79 (OD1) 1.64
13 LYS 370 (HZ1) ASP 79 (OE1) 1.65
14 LYS 357 (HZ2) ALA 112 (OD2) 1.70
15 LYS 357 (HZ1) ASP 113 (O) 1.61
16 GLU 457 (OE1) ASN 75 (OD1) 1.97
17 GLU 361 (OE1) ARG 115 (HD22) 1.82
18 GLU 361 (OE2) ARG 115 (HH22) 1.64
Salt Bridges
1 ARG 453 (NE) ASP 72 (OD1) 3.79
2 ARG 453 (NH1) ASP 72 (OD1) 2.64
3 ARG 436 (NH1) GLU 73 (OE1) 2.63
4 ARG 436 (NH2) GLU 73 (OE1) 3.50
5 ARG 446 (NH1) GLU 73 (OE2) 3.41
6 ARG 446 (NH2) GLU 73 (OE2) 2.65
7 LYS 370 (NZ) ASP 76 (OD1) 2.58
8 ARG 436 (NE) ASP 76 (OD2) 2.58
9 ARG 436 (NH2) ASP 76 (OD2) 3.13
10 LYS 366 (NZ) ASP 79 (OD1) 2.66
11 LYS 370 (NZ) ASP 79 (OD2) 2.64
12 LYS 366 (NZ) ASP 79 (OD2) 3.36
13 LYS 357 (NZ) ASP 113 (OD1) 2.64
14 GLU 361 (OE1) ARG 115 (NE) 2.80
15 GLU 361 (OE2) ARG 115 (NE) 3.30
16 GLU 361 (OE1) ARG 115 (NH2) 3.58
17 GLU 361 (OE2) ARG 115 (NH2) 2.61