3R2U

2.1 angstrom resolution crystal structure of metallo-beta-lactamase from staphylococcus aureus subsp. aureus col

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -2.9878
• 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	-39.7872	-24.5139	-278.999	-343.3001	133	8	14	12878	2	24	25
A-C	-49.9691	10.9246	-244.799	-283.8435	95	8	8	9337	0	11	10
A-D	0.0	-7.1159	-61.3873	-68.5032	28	2	1	2404	0	22	25
B-C	0.0	-15.1876	-38.8457	-54.0333	28	0	1	1790	0	21	23
B-D	-50.9132	13.7009	-252.344	-289.5564	100	9	8	9591	0	12	10
C-D	-6.9895	-33.7424	-258.056	-298.788	122	5	13	11384	1	24	24

Interface residues

• A-B: ALA0A, ALA0B, ALA133A, ALA133B, ALA135A, ALA135B, ALA197A, ALA197B, ALA207A, ALA207B, ASN-1A, ASN-1B, ASN300A, ASN303A, ASP130A, ASP130B, ASP151B, ASP187A, ASP187B, ASP298A, ASP43A, ASP43B, GLN-3B, GLN136A, GLN136B, GLN190A, GLN190B, GLN218A, GLN218B, GLN21A, GLN21B, GLN304A, GLN5A, GLN5B, GLU131A, GLU131B, GLU216A, GLU216B, GLU44A, GLU44B, GLU45A, GLU45B, GLY134A, GLY134B, GLY140A, GLY140B, GLY150A, GLY150B, GLY196A, GLY198A, GLY198B, GLY19A, GLY19B, GLY202A, GLY206A, GLY206B, GLY214A, GLY214B, GLY46A, GLY46B, ILE189A, ILE189B, ILE18A, ILE18B, ILE191A, ILE191B, ILE208A, ILE208B, LEU128A, LEU128B, LEU205A, LEU205B, LEU213A, LEU213B, LEU47A, LEU47B, LYS203A, LYS217A, LYS217B, LYS299A, LYS299B, LYS4A, LYS4B, LYS9A, LYS9B, MET139A, MET139B, MET1A, MET1B, PHE142A, PHE142B, PHE2A, PHE2B, PHE3A, PHE3B, PHE6A, PHE6B, PRO138A, PRO138B, PRO186A, PRO186B, PRO200A, PRO209A, PRO209B, SER-2B, SER199A, SER204A, SER204B, SER211A, SER211B, THR129A, THR129B, THR210A, THR210B, THR212A, THR212B, THR219A, THR219B, TRP192A, TRP192B, TYR16A, TYR16B, TYR188A, TYR188B, TYR215A, TYR215B, TYR7A, TYR7B, VAL137A, VAL137B, VAL149A, VAL149B, VAL41A
• A-C: ALA268A, ALA268C, ALA340A, ALA340C, ALA42A, ALA42C, ALA69A, ALA74A, ARG33A, ARG33C, ARG40A, ARG40C, ASN270A, ASN270C, ASN73A, ASN73C, ASP320A, ASP320C, ASP34A, ASP34C, ASP43A, ASP43C, ASP67A, ASP67C, GLN261A, GLN261C, GLN343A, GLN343C, GLN346C, GLU44A, GLU44C, GLU45A, GLU45C, GLY319A, GLY319C, GLY341C, GLY46A, GLY46C, HIS322A, HIS322C, HIS329A, ILE39A, ILE39C, ILE49A, ILE49C, ILE70A, ILE70C, LEU259A, LEU259C, LEU344A, LEU344C, LEU35A, LEU35C, LEU47A, LEU47C, LEU72A, LEU72C, LYS71A, LYS71C, PRO262A, PRO262C, PRO267A, PRO267C, PRO345A, PRO345C, SER325A, SER325C, SER36A, SER36C, SER37A, SER37C, THR264A, THR264C, THR269A, THR269C, THR48A, THR48C, THR50C, TYR260A, TYR260C, TYR263A, TYR263C, TYR266A, TYR266C, TYR321A, TYR321C, TYR342A, TYR342C, TYR38A, TYR38C, VAL265A, VAL265C, VAL324C, VAL68A, VAL68C
• A-D: ALA283A, ALA283D, ARG279A, ARG279D, GLN346A, GLN346D, GLU282A, GLU282D, GLY286A, GLY286D, GLY287A, GLY287D, HIS285A, HIS285D, HIS288A, HIS288D, HIS322A, HIS322D, LYS281A, LYS281D, LYS326A, LYS326D, PRO345A, PRO345D, SER280A, SER280D, TYR284A, TYR284D
• B-C: ALA283B, ALA283C, ARG279B, ARG279C, GLN346B, GLN346C, GLU282B, GLU282C, GLY286B, GLY286C, GLY287B, GLY287C, HIS285B, HIS285C, HIS288B, HIS288C, HIS322B, HIS322C, LYS281B, LYS281C, LYS326B, LYS326C, PRO345B, PRO345C, SER280B, SER280C, TYR284B, TYR284C
• B-D: ALA268B, ALA268D, ALA340B, ALA340D, ALA42B, ALA42D, ALA69B, ALA69D, ALA74B, ALA74D, ARG273B, ARG33B, ARG33D, ARG40B, ARG40D, ASN270B, ASN270D, ASN73B, ASN73D, ASP320B, ASP320D, ASP34B, ASP34D, ASP43B, ASP43D, ASP67B, ASP67D, GLN261B, GLN261D, GLN343B, GLN343D, GLN346D, GLU44B, GLU44D, GLU45B, GLU45D, GLY319B, GLY319D, GLY341B, GLY341D, GLY46B, GLY46D, HIS322B, HIS322D, HIS329B, HIS94D, ILE32B, ILE39B, ILE39D, ILE49B, ILE49D, ILE70B, ILE70D, LEU259B, LEU259D, LEU344B, LEU344D, LEU35B, LEU35D, LEU47B, LEU47D, LEU72B, LEU72D, LYS71B, LYS71D, PRO262B, PRO262D, PRO267B, PRO267D, PRO345B, PRO345D, SER325D, SER36B, SER36D, SER37B, SER37D, THR264B, THR264D, THR269B, THR269D, THR48B, THR48D, TYR260B, TYR260D, TYR263B, TYR263D, TYR266B, TYR266D, TYR321B, TYR321D, TYR342B, TYR342D, TYR38B, TYR38D, VAL265B, VAL265D, VAL324B, VAL41B, VAL68B, VAL68D
• C-D: ALA0C, ALA0D, ALA133C, ALA133D, ALA135C, ALA135D, ALA197C, ALA197D, ALA207C, ALA207D, ASN-1C, ASN-1D, ASP130C, ASP130D, ASP187C, ASP187D, ASP43C, ASP43D, GLN136C, GLN136D, GLN190C, GLN190D, GLN218C, GLN218D, GLN21C, GLN21D, GLN5C, GLN5D, GLU131C, GLU131D, GLU216C, GLU216D, GLU44C, GLU44D, GLU45C, GLU45D, GLY134C, GLY134D, GLY140C, GLY140D, GLY150C, GLY150D, GLY198C, GLY198D, GLY19C, GLY19D, GLY206C, GLY206D, GLY214C, GLY214D, GLY46C, GLY46D, ILE189C, ILE189D, ILE18C, ILE18D, ILE191C, ILE191D, ILE208C, ILE208D, LEU128C, LEU128D, LEU205C, LEU205D, LEU213C, LEU213D, LEU47C, LEU47D, LYS203C, LYS203D, LYS217C, LYS217D, LYS299C, LYS299D, LYS4C, LYS4D, LYS9C, LYS9D, MET139C, MET139D, MET1C, MET1D, PHE142C, PHE142D, PHE2C, PHE2D, PHE3C, PHE3D, PHE6C, PRO138C, PRO138D, PRO186C, PRO186D, PRO209C, PRO209D, SER204C, SER204D, SER211C, SER211D, THR129C, THR129D, THR210C, THR210D, THR212C, THR212D, THR219C, THR219D, TRP192C, TRP192D, TYR16C, TYR188C, TYR188D, TYR215C, TYR215D, TYR7C, TYR7D, VAL137C, VAL137D, VAL149C, VAL149D, VAL41C, VAL41D