3KH3

crystal structure of human cu/zn superoxide dismutase recombinantly produced in leishmania tarantolae; p212121 crystal form containing 12 chains in the asymmetric unit

• Total interactions analyzed: 66
• Total true interactions: 18
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 78
  • Norm. En. per Res.: -3.3665
• Hub Node: A(4)

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	-41.9839	-1.7529	-198.272	-242.0088	78	4	6	7730	0	8	6
A-G	0.0	0.0	-0.0475	-0.0475	4	0	0	21	0	0	0
A-H	-12.5336	1.1867	-22.5619	-33.9089	31	13	0	1628	1	8	15
A-L	0.0	5.126	-15.7375	-10.6115	11	1	0	446	0	5	6
B-C	-22.9136	-8.7502	-82.6248	-114.2887	55	4	0	3607	2	28	34
B-F	-33.8749	-7.5922	-89.9588	-131.4259	57	7	0	3810	2	29	36
B-G	-14.3996	-0.3352	-23.8333	-38.568	30	13	0	1664	3	8	15
B-H	0.0	0.0	-3.6382	-3.6382	2	0	0	80	0	0	0
C-D	-64.9112	-1.3548	-196.321	-262.587	78	10	5	7652	0	8	6
C-F	-12.8591	-10.8975	-62.5328	-86.2893	52	1	0	3095	2	24	34
E-F	-34.5569	-0.8197	-184.329	-219.7056	77	3	6	7482	0	8	6
F-G	0.0	5.3794	-15.7374	-10.358	11	0	0	467	0	6	6
G-H	-40.5776	-1.7257	-180.575	-222.8784	75	4	6	7353	0	8	6
H-J	-12.6849	-11.3354	-61.7108	-85.7311	52	2	0	3054	2	25	34
H-L	-20.6218	-7.3315	-75.5367	-103.49	55	2	0	3473	2	27	34
I-J	-39.1637	-1.6968	-185.067	-225.9276	78	4	6	7518	0	8	6
J-L	-14.5312	-8.8942	-73.6044	-97.0298	53	5	0	3466	2	26	36
K-L	-45.7428	-1.7715	-190.15	-237.6644	74	4	6	7490	0	8	6

Interface residues

• A-B: ALA153A, ALA153B, ALA56A, ALA56B, ALA5A, ALA5B, ALA61A, ALA61B, ARG116A, ARG116B, ASN20A, ASN20B, ASN54A, ASN54B, ASP53A, ASP53B, CYS112A, CYS112B, CYS7A, CYS7B, GLN154A, GLN154B, GLU50A, GLU50B, GLY115A, GLY115B, GLY148A, GLY148B, GLY151A, GLY151B, GLY17A, GLY17B, GLY52A, GLY52B, GLY57A, GLY57B, GLY62A, GLY62B, HIS49A, HIS49B, ILE113A, ILE113B, ILE114A, ILE114B, ILE150A, ILE150B, ILE152A, ILE152B, ILE18A, ILE18B, ILE19A, ILE19B, LEU9A, LEU9B, LYS10A, LYS10B, LYS4A, LYS4B, PHE51A, PHE51B, PHE65A, PHE65B, PRO63A, PRO63B, SER60A, SER60B, THR117A, THR117B, THR3A, THR3B, THR55A, THR55B, VAL149A, VAL149B, VAL6A, VAL6B, VAL8A, VAL8B
• A-G: ALA56A, ALA56G, THR59A, THR59G
• A-H: ALA2H, ASN132A, ASN20H, ASN66A, ASP97H, GLN154H, GLU101H, GLU133A, GLU134A, GLU22H, GLU50A, GLU79A, GLY131A, GLY34H, GLY62A, ILE100H, LYS137A, LYS24H, LYS31H, LYS4H, LYS71A, PHE21H, PHE51A, PRO63A, SER69A, SER99H, THR136A, THR138A, TRP33H, VAL32H, VAL98H
• A-L: ASN132A, GLU133A, GLU133L, GLU134A, GLY130A, GLY131A, LYS129A, LYS137L, LYS71L, SER135A, THR136L
• B-C: ALA90C, ALA96C, ARG80B, ASN132B, ASN140B, ASN87C, ASP126B, ASP77B, ASP77C, ASP91C, ASP97C, GLU101C, GLU122B, GLU133B, GLU134B, GLU41C, GLU78B, GLU79B, GLY128B, GLY130B, GLY131B, GLY139B, GLY34C, GLY42C, GLY73B, GLY74B, GLY74C, GLY86C, HIS44C, HIS72B, ILE100C, LEU127B, LEU127C, LEU43C, LEU85C, LYS123B, LYS129B, LYS129C, LYS137B, LYS31C, LYS71B, LYS76B, LYS76C, LYS92C, PHE46C, PRO75C, SER135B, SER99C, THR136B, THR89C, TRP33C, VAL32C, VAL88C, VAL95C, VAL98C
• B-F: ALA90B, ALA96B, ARG80F, ASN132F, ASN140F, ASN87B, ASP126F, ASP77B, ASP77F, ASP91B, ASP97B, GLU101B, GLU122F, GLU133F, GLU134F, GLU41B, GLU78F, GLU79F, GLY128F, GLY130F, GLY131F, GLY139F, GLY142F, GLY34B, GLY42B, GLY73F, GLY74B, GLY74F, GLY86B, HIS44B, HIS72F, ILE100B, LEU127B, LEU127F, LEU43B, LEU85B, LYS123F, LYS129B, LYS129F, LYS137F, LYS31B, LYS71F, LYS76B, LYS76F, LYS92B, PHE46B, PRO75B, SER135F, SER143F, SER99B, THR136F, THR89B, TRP33B, VAL32B, VAL88B, VAL95B, VAL98B
• B-G: ALA2B, ASN132G, ASN140G, ASN20B, ASP97B, GLN154B, GLU101B, GLU133G, GLU134G, GLU22B, GLU50G, GLY131G, GLY34B, GLY62G, ILE100B, LYS137G, LYS24B, LYS31B, LYS4B, LYS71G, PHE21B, PHE51G, PRO63G, SER69G, SER99B, THR136G, THR138G, TRP33B, VAL32B, VAL98B
• B-H: GLN154B, GLN154H
• C-D: ALA153C, ALA153D, ALA56C, ALA56D, ALA5C, ALA5D, ALA61C, ALA61D, ARG116C, ARG116D, ASN20C, ASN20D, ASN54C, ASN54D, ASP110D, ASP53C, ASP53D, CYS112C, CYS112D, CYS7C, CYS7D, GLN154C, GLN154D, GLU50C, GLU50D, GLY115C, GLY115D, GLY11D, GLY148C, GLY148D, GLY151C, GLY151D, GLY52C, GLY52D, GLY57C, GLY57D, GLY62C, GLY62D, HIS49C, HIS49D, ILE113C, ILE113D, ILE114C, ILE114D, ILE150C, ILE150D, ILE152C, ILE152D, ILE18C, ILE18D, ILE19C, ILE19D, LEU9C, LYS10C, LYS10D, LYS4C, LYS4D, PHE51C, PHE51D, PHE65C, PHE65D, PRO63C, PRO63D, SER60C, SER60D, THR117C, THR117D, THR3C, THR3D, THR55C, THR55D, THR59D, VAL149C, VAL149D, VAL6C, VAL6D, VAL8C, VAL8D
• C-F: ALA90F, ALA96F, ASN132C, ASN140C, ASN87F, ASP126C, ASP77C, ASP77F, ASP91F, ASP97F, GLU101F, GLU122C, GLU133C, GLU134C, GLU41F, GLU78C, GLU79C, GLY128C, GLY130C, GLY131C, GLY34F, GLY42F, GLY73C, GLY74C, GLY74F, GLY86F, HIS44F, HIS72C, ILE100F, LEU127C, LEU127F, LEU43F, LEU85F, LYS123C, LYS129C, LYS129F, LYS31F, LYS71C, LYS76C, LYS76F, LYS92F, PHE46F, PRO75F, SER135C, SER99F, THR136C, THR89F, TRP33F, VAL32F, VAL88F, VAL95F, VAL98F
• E-F: ALA153E, ALA153F, ALA56E, ALA56F, ALA5E, ALA5F, ALA61E, ALA61F, ARG116E, ARG116F, ASN20E, ASN20F, ASN54E, ASN54F, ASP53E, ASP53F, CYS112E, CYS112F, CYS7E, CYS7F, GLN154E, GLN154F, GLU50E, GLU50F, GLY115E, GLY115F, GLY148E, GLY148F, GLY151E, GLY151F, GLY17E, GLY17F, GLY52E, GLY52F, GLY57E, GLY57F, GLY62E, GLY62F, HIS49E, HIS49F, ILE113E, ILE113F, ILE114E, ILE114F, ILE150E, ILE150F, ILE152E, ILE152F, ILE18E, ILE18F, ILE19E, ILE19F, LEU9E, LYS10E, LYS10F, LYS4E, LYS4F, PHE51E, PHE51F, PHE65E, PHE65F, PRO63E, PRO63F, SER60E, SER60F, THR117E, THR117F, THR3E, THR3F, THR55E, THR55F, VAL149E, VAL149F, VAL6E, VAL6F, VAL8E, VAL8F
• F-G: ASN132G, GLU133F, GLU133G, GLU134G, GLY130G, GLY131G, LYS129G, LYS137F, LYS71F, SER135G, THR136F
• G-H: ALA153G, ALA153H, ALA56G, ALA56H, ALA5G, ALA5H, ALA61G, ALA61H, ARG116G, ARG116H, ASN20G, ASN20H, ASN54G, ASN54H, ASP53G, ASP53H, CYS112G, CYS112H, CYS7G, CYS7H, GLN154G, GLN154H, GLU50G, GLU50H, GLY115G, GLY115H, GLY148G, GLY148H, GLY151G, GLY151H, GLY17G, GLY17H, GLY52G, GLY52H, GLY57G, GLY57H, GLY62G, GLY62H, HIS49G, HIS49H, ILE113G, ILE113H, ILE114G, ILE114H, ILE150G, ILE150H, ILE152G, ILE152H, ILE18G, ILE18H, ILE19H, LYS10G, LYS10H, LYS4G, LYS4H, PHE51G, PHE51H, PHE65G, PHE65H, PRO63G, PRO63H, SER60G, SER60H, THR117G, THR117H, THR3G, THR3H, THR55G, THR55H, VAL149G, VAL149H, VAL6G, VAL6H, VAL8G, VAL8H
• H-J: ALA90J, ALA96J, ARG80H, ASN132H, ASN140H, ASN87J, ASP126H, ASP77H, ASP77J, ASP91J, ASP97J, GLU101J, GLU122H, GLU133H, GLU134H, GLU41J, GLU78H, GLU79H, GLY128H, GLY130H, GLY131H, GLY34J, GLY73H, GLY74H, GLY74J, GLY86J, HIS44J, HIS72H, ILE100J, LEU127H, LEU127J, LEU43J, LEU85J, LYS123H, LYS129H, LYS129J, LYS31J, LYS71H, LYS76H, LYS76J, LYS92J, PHE46J, PRO75J, SER135H, SER99J, THR136H, THR89J, TRP33J, VAL32J, VAL88J, VAL95J, VAL98J
• H-L: ALA90H, ALA96H, ARG80L, ASN132L, ASN140L, ASN87H, ASP126L, ASP77H, ASP77L, ASP91H, ASP97H, GLU101H, GLU122L, GLU133L, GLU134L, GLU41H, GLU78L, GLU79L, GLY128L, GLY130L, GLY131L, GLY139L, GLY34H, GLY42H, GLY73L, GLY74H, GLY74L, GLY86H, HIS44H, HIS72L, ILE100H, LEU127H, LEU127L, LEU43H, LEU85H, LYS123L, LYS129H, LYS129L, LYS137L, LYS31H, LYS71L, LYS76H, LYS76L, LYS92H, PHE46H, PRO75H, SER135L, SER99H, THR136L, THR89H, TRP33H, VAL32H, VAL88H, VAL95H, VAL98H
• I-J: ALA153I, ALA153J, ALA56I, ALA56J, ALA5I, ALA5J, ALA61I, ALA61J, ARG116I, ARG116J, ASN20I, ASN20J, ASN54I, ASN54J, ASP53I, ASP53J, CYS112I, CYS112J, CYS7I, CYS7J, GLN154I, GLN154J, GLU50I, GLU50J, GLY115I, GLY115J, GLY148I, GLY148J, GLY151I, GLY151J, GLY17I, GLY17J, GLY52I, GLY52J, GLY57I, GLY57J, GLY62I, GLY62J, HIS49I, HIS49J, ILE113I, ILE113J, ILE114I, ILE114J, ILE150I, ILE150J, ILE152I, ILE152J, ILE18I, ILE18J, ILE19I, ILE19J, LEU9I, LEU9J, LYS10I, LYS10J, LYS4I, LYS4J, PHE51I, PHE51J, PHE65I, PHE65J, PRO63I, PRO63J, SER60I, SER60J, THR117I, THR117J, THR3I, THR3J, THR55I, THR55J, VAL149I, VAL149J, VAL6I, VAL6J, VAL8I, VAL8J
• J-L: ALA90L, ALA96L, ARG80J, ASN132J, ASN140J, ASN87L, ASP126J, ASP77J, ASP77L, ASP91L, ASP97L, GLU101L, GLU122J, GLU133J, GLU134J, GLU41L, GLU78J, GLU79J, GLY128J, GLY130J, GLY131J, GLY34L, GLY73J, GLY74J, GLY74L, GLY86L, HIS44L, HIS72J, ILE100L, LEU127J, LEU127L, LEU43L, LEU85L, LYS123J, LYS129J, LYS129L, LYS137J, LYS31L, LYS71J, LYS76J, LYS76L, LYS92L, PHE46L, PRO75L, SER135J, SER99L, THR136J, THR89L, TRP33L, VAL32L, VAL88L, VAL95L, VAL98L
• K-L: ALA153K, ALA153L, ALA56K, ALA56L, ALA5K, ALA5L, ALA61K, ALA61L, ARG116K, ARG116L, ASN20K, ASN20L, ASN54K, ASN54L, ASP53K, ASP53L, CYS112K, CYS112L, CYS7K, CYS7L, GLN154K, GLN154L, GLU50K, GLU50L, GLY115K, GLY115L, GLY148K, GLY148L, GLY151K, GLY151L, GLY17L, GLY52K, GLY52L, GLY57K, GLY57L, GLY62K, GLY62L, HIS49K, HIS49L, ILE113K, ILE113L, ILE114K, ILE114L, ILE150K, ILE150L, ILE152K, ILE152L, ILE18K, ILE18L, ILE19K, LYS10K, LYS10L, LYS4K, LYS4L, PHE51K, PHE51L, PHE65K, PHE65L, PRO63K, PRO63L, SER60K, SER60L, THR117K, THR117L, THR3K, THR3L, THR55K, THR55L, VAL149K, VAL149L, VAL6K, VAL6L, VAL8K, VAL8L