3HBR

crystal structure of oxa-48 beta-lactamase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -4.481
• 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	-107.5766	-125.355	-188.279	-421.2106	94	11	5	8174	13	63	55
A-C	0.0	1.8579	-30.7785	-28.9206	32	4	0	1698	0	19	17
A-D	0.0	0.0	-0.1505	-0.1505	9	0	0	59	0	6	3
B-C	0.0	-7.7127	-21.7658	-29.4785	31	1	0	1098	0	26	29
B-D	0.0	-3.1735	-6.0609	-9.2344	23	0	0	518	0	12	12
C-D	-102.5898	-43.8052	-175.043	-321.438	89	14	5	7741	12	60	52

Interface residues

• A-B: ALA194A, ALA194B, ALA199A, ALA199B, ARG107A, ARG107B, ARG186A, ARG186B, ARG189A, ARG189B, ARG206A, ARG206B, ASN110A, ASN110B, ASN179A, ASN179B, ASN200A, ASN200B, ASN231A, ASN231B, ASP108A, ASP108B, ASP202A, ASP202B, ASP229A, ASP229B, ASP230A, ASP230B, ASP88A, ASP88B, GLN188B, GLN193A, GLN193B, GLU185A, GLU185B, GLU198A, GLU198B, GLU227A, GLU227B, GLU89A, GLU89B, GLY201A, GLY201B, HIS109A, HIS109B, HIS178A, HIS178B, HIS90A, HIS90B, ILE112A, ILE112B, ILE190A, ILE190B, ILE204A, ILE204B, ILE205A, ILE205B, LEU111A, LEU111B, LEU176A, LEU176B, LEU196A, LEU196B, LEU228A, LEU228B, LEU81A, LEU81B, LYS116A, LYS116B, LYS192A, LYS192B, LYS87A, LYS87B, SER187A, SER187B, THR104A, THR104B, THR113A, THR113B, THR197A, THR197B, TRP225A, TRP225B, TYR117A, TYR117B, TYR177A, TYR177B, TYR203A, TYR203B, VAL191A, VAL191B, VAL232A, VAL232B, VAL92A
• A-C: ALA33C, ALA80A, ARG134A, ARG186A, ASP202C, ASP82A, ASP88A, GLN260C, GLN91A, GLU185A, GLU256C, GLU261C, GLU37C, GLY84A, HIS34C, ILE190A, ILE264C, ILE79A, LEU81A, LEU83A, LYS259C, LYS262C, LYS87A, PRO265C, SER184A, SER187A, SER30C, TRP31C, VAL183A, VAL257C, VAL85A, VAL86A
• A-D: ALA103D, ALA141A, ASP101D, ASP245D, HIS140A, HIS182A, ILE102D, LYS137A, LYS180A
• B-C: ALA141B, ALA252C, ARG186B, ARG189B, ARG250C, ASN179B, ASP143B, ASP245C, GLN251C, GLU185B, GLU256C, GLU37C, GLY246C, GLY248C, HIS140B, HIS178B, HIS182B, HIS38C, ILE253C, LEU181B, LEU249C, LYS175B, LYS180B, LYS255C, LYS259C, LYS39C, PRO265C, SER184B, SER244C, THR243C, VAL183B
• B-D: ALA252D, ARG134B, ASN200D, ASP202D, ASP82B, GLN129B, GLN91B, GLU256D, GLU37D, GLY84B, HIS38D, ILE264D, LEU83B, LYS255D, LYS259D, LYS262D, LYS87B, LYS94B, PRO265D, TYR203D, VAL85B, VAL86B, VAL92B
• C-D: ALA194C, ALA194D, ALA199C, ALA199D, ARG107C, ARG186C, ARG186D, ARG189C, ARG189D, ARG206C, ARG206D, ASN110C, ASN110D, ASN179C, ASN179D, ASN200C, ASN200D, ASN231C, ASN231D, ASP108D, ASP202C, ASP202D, ASP229C, ASP229D, ASP230C, ASP230D, ASP88C, ASP88D, GLN188C, GLN193C, GLN193D, GLU185C, GLU185D, GLU198C, GLU198D, GLU227C, GLU227D, GLU49D, GLU89C, GLU89D, GLY201C, GLY201D, HIS109C, HIS109D, HIS178C, HIS178D, HIS90C, HIS90D, ILE112C, ILE112D, ILE190C, ILE190D, ILE204C, ILE204D, ILE205C, ILE205D, LEU111C, LEU111D, LEU196C, LEU196D, LEU228C, LEU228D, LEU81C, LEU81D, LYS116C, LYS116D, LYS192C, LYS192D, LYS87C, LYS87D, SER187C, SER187D, THR104D, THR113C, THR113D, THR197C, THR197D, TRP225C, TRP225D, TYR117C, TYR117D, TYR177C, TYR177D, TYR203C, TYR203D, VAL191C, VAL191D, VAL232C, VAL232D