3M1H

crystal structure analysis of the k3 cleaved adhesin domain of lys- gingipain (kgp) from porphyromonas gingivalis w83

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 42
  • Norm. En. per Res.: -1.165
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	9.5353	-65.3472	-55.8119	55	0	1	3139	0	12	15
A-C	0.0	0.0	-0.0158	-0.0158	3	0	0	10	0	1	0
A-D	-18.982	31.7188	-54.9031	-42.1663	43	2	0	2516	0	8	18
B-C	-25.4762	31.6165	-55.0719	-48.9316	42	2	0	2472	0	9	17
C-D	-6.5377	0.0	-24.5325	-31.0702	37	0	0	1075	0	1	2

Interface residues

• A-B: ALA1517A, ALA1522A, ALA1522B, ALA1536B, ALA1538A, ALA1538B, ALA1546A, ARG1582B, ASN1487B, ASN1515A, ASN1537B, ASP1489B, ASP1588A, ASP1588B, CYS1586A, CYS1586B, GLN1486B, GLU1519A, GLU1541A, GLU1541B, GLU1542A, GLU1542B, GLY1585A, GLY1585B, HIS1520A, HIS1520B, LEU1540A, LEU1540B, LEU1544A, LEU1544B, LYS1547A, PHE1584A, PHE1584B, PHE1589A, PHE1589B, PRO1485B, PRO1488B, PRO1553A, PRO1553B, SER1478B, SER1518A, SER1518B, THR1545A, THR1545B, THR1548A, THR1587A, THR1587B, TYR1516A, TYR1521A, TYR1521B, TYR1524B, VAL1543A, VAL1543B, VAL1549A, VAL1550A
• A-C: ALA1440C, ASN1487A, PRO1485A
• A-D: ALA1447A, ALA1447D, ALA1532A, ALA1532D, ASN1452A, ASN1452D, ASN1453A, ASN1453D, ASN1530A, ASN1530D, ASN1534A, ASN1534D, ASP1446A, ASP1446D, ASP1448A, ASP1448D, ASP1450A, ASP1450D, ASP1489D, ASP1531A, ASP1531D, GLU1483D, GLY1449A, GLY1449D, GLY1451A, GLY1451D, GLY1529A, ILE1445A, ILE1445D, LYS1443A, LYS1443D, LYS1577A, PRO1459D, SER1526A, SER1533A, SER1533D, THR1444A, THR1444D, THR1528A, TYR1491A, TYR1491D, TYR1578A, VAL1493A
• B-C: ALA1447B, ALA1447C, ALA1532B, ALA1532C, ASN1452B, ASN1452C, ASN1453B, ASN1453C, ASN1530B, ASN1530C, ASN1534B, ASN1534C, ASP1446B, ASP1446C, ASP1448B, ASP1448C, ASP1450B, ASP1450C, ASP1489C, ASP1531B, ASP1531C, GLU1483C, GLY1449B, GLY1449C, GLY1451B, GLY1451C, GLY1529B, ILE1445B, ILE1445C, LYS1443B, LYS1443C, LYS1577B, SER1527B, SER1533B, SER1533C, THR1444B, THR1444C, THR1528B, TYR1491B, TYR1491C, TYR1578B, VAL1493B
• C-D: ALA1440D, ALA1466C, ALA1471C, ALA1471D, ASN1436C, ASN1436D, ASN1469C, ASP1433C, GLU1435C, GLU1435D, GLY1437C, GLY1437D, GLY1461C, GLY1461D, GLY1462C, GLY1462D, GLY1467C, ILE1438D, ILE1472C, ILE1472D, PHE1434C, PHE1434D, PHE1465C, PRO1439D, PRO1458D, PRO1459D, PRO1460D, SER1441D, SER1463C, SER1463D, SER1464C, SER1464D, SER1470C, THR1455D, THR1456D, THR1457C, THR1457D