3MZI

crystallographic structure of the pseudo-signaling state of the bluf photoreceptor pixd (slr1694) y8f mutant

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 51
  • Norm. En. per Res.: -5.1243
• Hub Node: A(2)

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	-65.6555	7.1766	-181.032	-239.5109	73	22	1	7535	0	17	15
A-C	-29.2596	-51.5003	-125.483	-206.2429	51	9	0	5545	1	17	10
B-D	-32.7601	-79.244	-149.335	-261.3392	51	4	0	5816	2	16	11
C-D	-31.1198	4.6794	-170.623	-197.0634	73	21	1	7094	0	18	13
C-E	-36.8317	-67.4219	-141.344	-245.5976	52	22	0	6194	2	18	11
D-E	0.0	3.8356	0.0	3.8356	2	0	0	0	0	0	4
D-F	-35.037	-34.5555	-97.1726	-166.7651	47	15	1	4720	2	14	9
E-F	-56.2513	6.7002	-159.977	-209.5282	63	14	2	6564	0	15	15

Interface residues

• A-B: ARG5A, ARG5B, ARG84A, ASN60A, ASN60B, ASP125A, ASP125B, CYS129A, CYS129B, CYS56A, CYS56B, CYS80A, CYS80B, GLN58A, GLN58B, GLN68A, GLN68B, GLN76A, GLN76B, GLU127A, GLU127B, GLU55B, GLU57A, GLU57B, GLU61A, GLU61B, GLU79A, GLU79B, HIS64A, HIS64B, HIS72B, ILE66A, ILE66B, ILE77A, ILE77B, ILE78A, ILE78B, ILE7A, ILE7B, LEU3B, LEU6A, LEU6B, MET124A, MET124B, MET81A, MET81B, PHE8A, PHE8B, PRO121A, PRO121B, PRO126A, PRO126B, PRO75A, PRO75B, PRO82A, PRO82B, SER122A, SER122B, SER2A, SER2B, SER74A, SER74B, SER9A, SER9B, THR62A, TYR4A, TYR4B, TYR63A, TYR63B, VAL59A, VAL59B, VAL67A, VAL67B
• A-C: ALA123C, ALA34A, ARG120C, ARG84A, ARG85A, ARG86A, ASN131C, ASN32A, ASN35A, ASN87A, ASP125C, ASP135C, CYS56A, GLN105C, GLN128C, GLN58A, GLU104C, GLU127C, GLU53A, GLU55A, GLU57A, GLU89A, GLY115C, GLY36A, GLY39A, GLY54A, ILE37A, ILE83A, LEU109C, LEU111C, LEU3A, LYS107C, LYS112C, MET124C, PHE116C, PHE88A, PRO33A, PRO82A, SER114C, SER122C, SER2A, THR108C, THR117C, THR118C, THR38A, TRP91A, TYR113C, TYR4A, VAL110C, VAL59A, VAL90A
• B-D: ALA123B, ALA34D, ARG120B, ARG84D, ARG85D, ARG86D, ASN131B, ASN32D, ASN35D, ASN87D, ASP125B, ASP135B, CYS56D, GLN128B, GLN58D, GLU127B, GLU53D, GLU55D, GLU57D, GLU89D, GLY115B, GLY36D, GLY54D, ILE37D, ILE83D, LEU109B, LEU111B, LEU3D, LYS107B, LYS112B, MET124B, PHE116B, PHE132B, PHE88D, PRO126B, PRO33D, PRO82D, SER114B, SER122B, SER2D, SER92D, THR108B, THR117B, THR118B, THR38D, TRP91D, TYR113B, TYR4D, VAL110B, VAL59D, VAL90D
• C-D: ARG5C, ARG5D, ARG84C, ASN60C, ASN60D, ASP125C, ASP125D, CYS129D, CYS56C, CYS56D, CYS80C, CYS80D, GLN128D, GLN58C, GLN58D, GLN68C, GLN68D, GLN76C, GLN76D, GLU127C, GLU127D, GLU55C, GLU57C, GLU57D, GLU61C, GLU61D, GLU79C, GLU79D, HIS64C, HIS64D, HIS72D, HIS73C, HIS73D, ILE77C, ILE77D, ILE78C, ILE78D, ILE7C, ILE7D, ILE83C, LEU6C, LEU6D, MET124C, MET124D, MET81C, MET81D, PHE8C, PHE8D, PRO126C, PRO126D, PRO75C, PRO75D, PRO82C, PRO82D, SER10D, SER122C, SER122D, SER2C, SER2D, SER74C, SER74D, SER9C, SER9D, THR62C, THR62D, TYR4C, TYR4D, TYR63C, TYR63D, VAL59C, VAL59D, VAL67C, VAL67D
• C-E: ALA123E, ALA34C, ARG120E, ARG84C, ARG85C, ARG86C, ASN131E, ASN35C, ASN87C, ASP125E, ASP135E, CYS56C, GLN105E, GLN128E, GLN58C, GLU104E, GLU127E, GLU53C, GLU55C, GLU57C, GLU89C, GLY115E, GLY36C, GLY39C, GLY54C, ILE37C, ILE83C, LEU109E, LEU111E, LEU3C, LYS107E, LYS112E, MET124E, PHE116E, PHE132E, PHE88C, PRO33C, PRO82C, SER114E, SER122E, SER2C, SER92C, THR108E, THR117E, THR118E, THR38C, TRP91C, TYR113E, TYR4C, VAL110E, VAL59C, VAL90C
• D-E: ASP125D, ASP125E
• D-F: ALA123D, ALA34F, ARG120D, ARG84F, ARG85F, ARG86F, ASN131D, ASN32F, ASN35F, ASN87F, ASP125D, CYS56F, GLN128D, GLN58F, GLU127D, GLU53F, GLU55F, GLU89F, GLY115D, GLY36F, GLY54F, ILE37F, ILE83F, LEU109D, LEU111D, LEU3F, LYS107D, LYS112D, MET124D, PHE116D, PHE88F, PRO121D, PRO33F, PRO82F, SER114D, SER122D, SER2F, SER92F, THR108D, THR117D, THR118D, THR38F, TRP91F, TYR113D, TYR4F, VAL110D, VAL90F
• E-F: ARG5F, ARG84F, ASN60E, ASN60F, ASP125E, ASP125F, CYS56E, CYS56F, CYS80E, CYS80F, GLN58E, GLN58F, GLN68E, GLN68F, GLN76E, GLN76F, GLU127E, GLU55E, GLU57E, GLU57F, GLU61E, GLU61F, GLU79E, GLU79F, HIS64E, HIS64F, ILE77E, ILE77F, ILE78E, ILE78F, ILE7E, ILE7F, LEU6E, LEU6F, MET124E, MET81E, MET81F, PHE8E, PHE8F, PRO126E, PRO126F, PRO75E, PRO75F, PRO82E, PRO82F, SER122E, SER122F, SER2E, SER2F, SER74E, SER74F, SER9E, SER9F, THR62E, THR62F, TYR4E, TYR4F, TYR63E, TYR63F, VAL59E, VAL59F, VAL67E, VAL67F