3NO6

crystal structure of a putative thiaminase ii (se1693) from staphylococcus epidermidis atcc 12228 at 1.65 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 108
  • Norm. En. per Res.: -3.6426
• 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	-34.032	-14.9559	-338.622	-387.6099	113	8	10	11490	2	44	47
A-C	0.0	24.9858	-114.426	-89.4402	59	0	9	5856	0	12	16
A-D	-26.2735	-15.2881	-33.5117	-75.0734	28	3	0	962	1	15	14
B-C	-24.621	-10.4486	-29.7881	-64.8577	28	2	0	844	1	12	13
B-D	0.0	38.9624	-111.205	-72.2426	58	0	9	5535	0	12	16
C-D	-50.148	-19.2809	-323.974	-393.4029	108	8	8	11180	2	43	47

Interface residues

• A-B: ALA10A, ALA10B, ALA121A, ALA121B, ALA123A, ALA123B, ALA133A, ALA133B, ARG124A, ARG124B, ARG12A, ARG12B, ARG209A, ARG209B, ASN120A, ASN120B, ASN200A, ASN200B, ASN20A, ASN20B, ASN226A, ASN226B, ASN227A, ASN53A, ASN53B, ASP111A, ASP111B, ASP16A, ASP16B, ASP17A, ASP17B, ASP21A, ASP21B, GLN203A, GLN203B, GLU103A, GLU196A, GLU196B, GLU199A, GLU199B, GLU219A, GLU219B, GLU222A, GLU222B, GLU50A, GLU50B, GLY110A, GLY110B, GLY224A, GLY224B, GLY225A, GLY225B, HIS112A, HIS112B, HIS116A, HIS116B, HIS207A, HIS207B, HIS210A, HIS210B, ILE114A, ILE114B, ILE14A, ILE14B, ILE15A, ILE15B, ILE18A, ILE206A, ILE206B, ILE54A, ILE54B, LEU202A, LEU202B, LYS104A, LYS115A, LYS115B, LYS195A, LYS195B, LYS198A, LYS198B, LYS220A, LYS220B, PHE119A, PHE119B, PHE122A, PHE122B, PHE201A, PHE201B, PRO107A, PRO107B, PRO108A, PRO108B, PRO13A, PRO13B, SER109A, SER109B, SER11A, SER11B, SER204A, SER204B, THR205A, THR205B, TRP106A, TRP106B, TRP221A, TRP221B, TYR113A, TYR113B, TYR118A, TYR118B, TYR223A, TYR223B, VAL105A
• A-C: ALA121A, ALA121C, ALA56A, ALA56C, ASN53A, ASN53C, ASP67A, GLU50A, GLU50C, GLU66A, GLU66C, GLU73A, GLU73C, GLU76A, GLU76C, GLU80A, GLU80C, GLY81A, ILE54A, ILE54C, ILE59A, ILE59C, ILE75A, ILE75C, LEU48C, LEU58A, LEU58C, LEU71A, LEU71C, LEU79A, LEU79C, LYS49A, LYS49C, LYS61A, LYS61C, LYS69A, LYS69C, PHE122A, PHE122C, PHE70A, PHE70C, PHE77A, PHE77C, PRO60A, PRO60C, SER63A, SER63C, SER64A, SER64C, THR52A, THR52C, TYR118A, TYR118C, TYR55A, TYR55C, VAL68A, VAL68C, VAL72A, VAL72C
• A-D: ALA123A, ALA123D, ARG124A, ARG124D, ASN120A, ASN120D, ASN126A, ASN126D, GLU125A, GLU125D, GLU193A, GLU193D, GLU196A, GLU196D, HIS188A, HIS188D, LYS61A, LYS61D, PHE119A, PHE119D, PHE122A, PHE122D, PHE129A, PHE129D, PRO60A, PRO60D, SER190A, SER190D
• B-C: ALA123B, ALA123C, ARG124B, ARG124C, ASN126B, ASN126C, GLU125B, GLU125C, GLU193B, GLU193C, GLU196B, GLU196C, HIS188B, HIS188C, LYS61B, LYS61C, PHE119B, PHE119C, PHE122B, PHE122C, PHE129B, PHE129C, PRO60B, PRO60C, SER190B, SER190C, SER63B, THR192C
• B-D: ALA121B, ALA121D, ALA56B, ALA56D, ASN53B, ASN53D, GLU50B, GLU50D, GLU66B, GLU66D, GLU73B, GLU73D, GLU76B, GLU76D, GLU80B, GLU80D, GLY81B, GLY81D, ILE54B, ILE54D, ILE59B, ILE59D, ILE75B, ILE75D, LEU58B, LEU58D, LEU71B, LEU71D, LEU79B, LEU79D, LYS49B, LYS49D, LYS61B, LYS61D, LYS69B, LYS69D, PHE122B, PHE122D, PHE51D, PHE70B, PHE70D, PHE77B, PHE77D, PRO60B, PRO60D, SER63D, SER64B, SER64D, THR52B, THR52D, TYR118B, TYR118D, TYR55B, TYR55D, VAL68B, VAL68D, VAL72B, VAL72D
• C-D: ALA10C, ALA10D, ALA121C, ALA121D, ALA123C, ALA123D, ALA133C, ALA133D, ARG124C, ARG124D, ARG12C, ARG12D, ARG209C, ARG209D, ASN120C, ASN120D, ASN200C, ASN200D, ASN20C, ASN20D, ASN226C, ASN226D, ASN227D, ASN53C, ASN53D, ASP111C, ASP111D, ASP16C, ASP16D, ASP17C, ASP17D, ASP21C, GLN203C, GLN203D, GLU196C, GLU199C, GLU199D, GLU208C, GLU219C, GLU219D, GLU222C, GLU222D, GLU50C, GLU50D, GLY110C, GLY110D, GLY224C, GLY224D, GLY225C, GLY225D, HIS112C, HIS112D, HIS116C, HIS116D, HIS207C, HIS207D, HIS210C, HIS210D, ILE114C, ILE114D, ILE14C, ILE14D, ILE15C, ILE15D, ILE18C, ILE206C, ILE206D, ILE54C, ILE54D, LEU202C, LEU202D, LYS115C, LYS115D, LYS198C, LYS198D, LYS220C, LYS220D, PHE119C, PHE119D, PHE122C, PHE122D, PHE201C, PHE201D, PRO107C, PRO107D, PRO108C, PRO108D, PRO13C, PRO13D, SER109C, SER109D, SER11C, SER11D, SER204C, SER204D, THR205C, THR205D, TRP106C, TRP106D, TRP221C, TRP221D, TYR113C, TYR113D, TYR118C, TYR118D, TYR223C, TYR223D, TYR47D